 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_300_STD_B3LYPDBJ-augccpVDZr.in
 Output=23_tartaric_acid_300_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/23_tartaric_acid_300_STD/Gau-3939.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/23_tartaric_acid_300_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      3941.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=23_tartaric_acid_300_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:21:58 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_300_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.464416000000     -0.510638000000     -0.301760000000
  O                                                -1.226068000000     -1.649988000000     -0.632869000000
  O                                                -2.372478000000      0.237815000000     -0.908297000000
  C                                                -0.752797000000      0.166934000000      0.877420000000
  C                                                 0.752808000000     -0.166909000000      0.877405000000
  C                                                 1.464382000000      0.510618000000     -0.301784000000
  O                                                 1.226101000000      1.650002000000     -0.632837000000
  O                                                -1.004751000000      1.555168000000      0.901145000000
  O                                                 1.004808000000     -1.555150000000      0.901196000000
  O                                                 2.372410000000     -0.237840000000     -0.908359000000
  H                                                -1.183171000000     -0.268641000000      1.783396000000
  H                                                 1.183171000000      0.268677000000      1.783379000000
  H                                                 2.347339000000     -1.116286000000     -0.478105000000
  H                                                -2.347390000000      1.116250000000     -0.478019000000
  H                                                -0.303553000000      1.976048000000      0.360817000000
  H                                                 0.303578000000     -1.976155000000      0.361020000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Jul  8 18:21:59 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.464416   -0.510638   -0.301760
      2          8           0       -1.226068   -1.649988   -0.632869
      3          8           0       -2.372478    0.237815   -0.908297
      4          6           0       -0.752797    0.166934    0.877420
      5          6           0        0.752808   -0.166909    0.877405
      6          6           0        1.464382    0.510618   -0.301784
      7          8           0        1.226101    1.650002   -0.632837
      8          8           0       -1.004751    1.555168    0.901145
      9          8           0        1.004808   -1.555150    0.901196
     10          8           0        2.372410   -0.237840   -0.908359
     11          1           0       -1.183171   -0.268641    1.783396
     12          1           0        1.183171    0.268677    1.783379
     13          1           0        2.347339   -1.116286   -0.478105
     14          1           0       -2.347390    1.116250   -0.478019
     15          1           0       -0.303553    1.976048    0.360817
     16          1           0        0.303578   -1.976155    0.361020
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.210191   0.000000
     3  O    1.323875   2.225740   0.000000
     4  C    1.534917   2.409598   2.411882   0.000000
     5  C    2.534692   2.897654   3.622147   1.542173   0.000000
     6  C    3.101745   3.466462   3.894069   2.534664   1.534883
     7  O    3.466534   4.111334   3.875554   2.897655   2.409565
     8  O    2.434302   3.560225   2.623009   1.411112   2.460717
     9  O    2.938567   2.709088   4.230254   2.460755   1.411128
    10  O    3.894049   3.875448   4.768670   3.622122   2.411865
    11  H    2.117909   2.783576   2.985994   1.093499   2.139903
    12  H    3.459025   3.914583   4.459676   2.139880   1.093497
    13  H    3.863597   3.616356   4.929029   3.618694   2.298098
    14  H    1.859429   2.988882   0.978477   2.298074   3.618687
    15  H    2.823158   3.871251   2.985390   1.934320   2.444387
    16  H    2.390151   1.853110   3.697851   2.444469   1.934382
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.210194   0.000000
     8  O    2.938493   2.709021   0.000000
     9  O    2.434290   3.560229   3.703027   0.000000
    10  O    1.323872   2.225732   4.230177   2.623000   0.000000
    11  H    3.459011   3.914584   2.033834   2.687124   4.459669
    12  H    2.117905   2.783523   2.687080   2.033815   2.986018
    13  H    1.859440   2.988890   4.502833   1.974199   0.978476
    14  H    3.863606   3.616448   1.974189   4.502871   4.929023
    15  H    2.390004   1.852969   0.980190   3.804363   3.697687
    16  H    2.823263   3.871410   3.804432   0.980183   2.985486
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.426579   0.000000
    13  H    4.277545   2.896156   0.000000
    14  H    2.896088   4.277518   5.198528   0.000000
    15  H    2.799301   2.673789   4.158551   2.370689   0.000000
    16  H    2.673795   2.799296   2.370752   4.158676   3.998564
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.464416   -0.510638   -0.301760
      2          8           0       -1.226068   -1.649988   -0.632869
      3          8           0       -2.372478    0.237815   -0.908297
      4          6           0       -0.752797    0.166934    0.877420
      5          6           0        0.752808   -0.166909    0.877405
      6          6           0        1.464382    0.510618   -0.301784
      7          8           0        1.226101    1.650002   -0.632837
      8          8           0       -1.004751    1.555168    0.901145
      9          8           0        1.004808   -1.555150    0.901196
     10          8           0        2.372410   -0.237840   -0.908359
     11          1           0       -1.183171   -0.268641    1.783396
     12          1           0        1.183171    0.268677    1.783379
     13          1           0        2.347339   -1.116286   -0.478105
     14          1           0       -2.347390    1.116250   -0.478019
     15          1           0       -0.303553    1.976048    0.360817
     16          1           0        0.303578   -1.976155    0.361020
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.8283046           1.1678491           0.9656679
 Leave Link  202 at Thu Jul  8 18:21:59 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 328 were deleted.
 There are   304 symmetry adapted cartesian basis functions of A   symmetry.
 There are   284 symmetry adapted basis functions of A   symmetry.
   284 basis functions,   542 primitive gaussians,   304 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       591.3890664853 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0261368629 Hartrees.
 Nuclear repulsion after empirical dispersion term =      591.3629296224 Hartrees.
 Leave Link  301 at Thu Jul  8 18:22:02 2021, MaxMem= 10737418240 cpu:              34.4 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   284 RedAO= T EigKep=  1.72D-05  NBF=   284
 NBsUse=   284 1.00D-06 EigRej= -1.00D+00 NBFU=   284
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   304   304   304   304   304 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Thu Jul  8 18:22:03 2021, MaxMem= 10737418240 cpu:               6.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:22:03 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_300_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:22:04 2021, MaxMem= 10737418240 cpu:               6.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737225648 LenY= 10737132791
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -607.527792443792    
 DIIS: error= 2.51D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -607.527792443792     IErMin= 1 ErrMin= 2.51D-03
 ErrMax= 2.51D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.22D-03 BMatP= 7.22D-03
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.51D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.257 Goal=   None    Shift=    0.000
 GapD=    0.257 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.51D-03 MaxDP=2.39D-01              OVMax= 1.55D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.48D-03    CP:  9.75D-01
 E= -607.533936358304     Delta-E=       -0.006143914512 Rises=F Damp=F
 DIIS: error= 5.59D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -607.533936358304     IErMin= 2 ErrMin= 5.59D-04
 ErrMax= 5.59D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-04 BMatP= 7.22D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.59D-03
 Coeff-Com:  0.215D-01 0.978D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.214D-01 0.979D+00
 Gap=     0.254 Goal=   None    Shift=    0.000
 RMSDP=3.64D-04 MaxDP=1.11D-02 DE=-6.14D-03 OVMax= 5.31D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.65D-04    CP:  9.73D-01  1.03D+00
 E= -607.533660157048     Delta-E=        0.000276201256 Rises=F Damp=F
 DIIS: error= 8.56D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -607.533936358304     IErMin= 2 ErrMin= 5.59D-04
 ErrMax= 8.56D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.46D-04 BMatP= 2.53D-04
 IDIUse=3 WtCom= 2.55D-01 WtEn= 7.45D-01
 Coeff-Com: -0.156D-01 0.626D+00 0.389D+00
 Coeff-En:   0.000D+00 0.688D+00 0.312D+00
 Coeff:     -0.396D-02 0.672D+00 0.332D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=1.07D-04 MaxDP=4.78D-03 DE= 2.76D-04 OVMax= 3.32D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.14D-05    CP:  9.73D-01  1.04D+00  7.19D-01
 E= -607.534112927520     Delta-E=       -0.000452770472 Rises=F Damp=F
 DIIS: error= 9.35D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -607.534112927520     IErMin= 4 ErrMin= 9.35D-05
 ErrMax= 9.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-05 BMatP= 2.53D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.802D-02 0.299D+00 0.127D+00 0.582D+00
 Coeff:     -0.802D-02 0.299D+00 0.127D+00 0.582D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=1.90D-05 MaxDP=9.68D-04 DE=-4.53D-04 OVMax= 5.33D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.66D-05    CP:  9.73D-01  1.04D+00  7.00D-01  1.10D+00
 E= -607.534119265036     Delta-E=       -0.000006337516 Rises=F Damp=F
 DIIS: error= 4.07D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -607.534119265036     IErMin= 5 ErrMin= 4.07D-05
 ErrMax= 4.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-06 BMatP= 1.01D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.245D-02 0.755D-01 0.143D-01 0.360D+00 0.553D+00
 Coeff:     -0.245D-02 0.755D-01 0.143D-01 0.360D+00 0.553D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=6.85D-06 MaxDP=3.04D-04 DE=-6.34D-06 OVMax= 3.34D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.35D-06    CP:  9.73D-01  1.04D+00  7.09D-01  1.12D+00  8.70D-01
 E= -607.534120082254     Delta-E=       -0.000000817218 Rises=F Damp=F
 DIIS: error= 1.13D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -607.534120082254     IErMin= 6 ErrMin= 1.13D-05
 ErrMax= 1.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-07 BMatP= 1.27D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.330D-03 0.191D-02-0.836D-02 0.122D+00 0.323D+00 0.562D+00
 Coeff:     -0.330D-03 0.191D-02-0.836D-02 0.122D+00 0.323D+00 0.562D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=3.09D-06 MaxDP=9.09D-05 DE=-8.17D-07 OVMax= 8.83D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.63D-06    CP:  9.73D-01  1.04D+00  7.12D-01  1.13D+00  8.53D-01
                    CP:  6.66D-01
 E= -607.534120210064     Delta-E=       -0.000000127809 Rises=F Damp=F
 DIIS: error= 1.75D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -607.534120210064     IErMin= 7 ErrMin= 1.75D-06
 ErrMax= 1.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-09 BMatP= 1.54D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.274D-04-0.252D-02-0.372D-02 0.326D-01 0.102D+00 0.223D+00
 Coeff-Com:  0.649D+00
 Coeff:     -0.274D-04-0.252D-02-0.372D-02 0.326D-01 0.102D+00 0.223D+00
 Coeff:      0.649D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=5.32D-07 MaxDP=1.71D-05 DE=-1.28D-07 OVMax= 1.23D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.29D-07    CP:  9.73D-01  1.04D+00  7.12D-01  1.13D+00  8.58D-01
                    CP:  6.94D-01  8.89D-01
 E= -607.534120212423     Delta-E=       -0.000000002359 Rises=F Damp=F
 DIIS: error= 7.75D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -607.534120212423     IErMin= 8 ErrMin= 7.75D-07
 ErrMax= 7.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.95D-10 BMatP= 3.12D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.182D-04-0.156D-02-0.124D-02 0.642D-02 0.234D-01 0.664D-01
 Coeff-Com:  0.344D+00 0.562D+00
 Coeff:      0.182D-04-0.156D-02-0.124D-02 0.642D-02 0.234D-01 0.664D-01
 Coeff:      0.344D+00 0.562D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=1.75D-07 MaxDP=7.79D-06 DE=-2.36D-09 OVMax= 3.93D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.39D-07    CP:  9.73D-01  1.04D+00  7.13D-01  1.13D+00  8.56D-01
                    CP:  6.95D-01  9.15D-01  8.84D-01
 E= -607.534120212776     Delta-E=       -0.000000000353 Rises=F Damp=F
 DIIS: error= 2.35D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -607.534120212776     IErMin= 9 ErrMin= 2.35D-07
 ErrMax= 2.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.53D-11 BMatP= 5.95D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.121D-04-0.582D-03-0.329D-03 0.681D-03 0.310D-02 0.152D-01
 Coeff-Com:  0.122D+00 0.295D+00 0.565D+00
 Coeff:      0.121D-04-0.582D-03-0.329D-03 0.681D-03 0.310D-02 0.152D-01
 Coeff:      0.122D+00 0.295D+00 0.565D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=5.43D-08 MaxDP=1.77D-06 DE=-3.53D-10 OVMax= 9.92D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.89D-08    CP:  9.73D-01  1.04D+00  7.13D-01  1.13D+00  8.56D-01
                    CP:  6.94D-01  9.20D-01  8.60D-01  7.66D-01
 E= -607.534120212828     Delta-E=       -0.000000000051 Rises=F Damp=F
 DIIS: error= 4.05D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -607.534120212828     IErMin=10 ErrMin= 4.05D-08
 ErrMax= 4.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-12 BMatP= 5.53D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.301D-05-0.106D-03-0.341D-04-0.147D-03-0.497D-03 0.132D-02
 Coeff-Com:  0.232D-01 0.707D-01 0.212D+00 0.693D+00
 Coeff:      0.301D-05-0.106D-03-0.341D-04-0.147D-03-0.497D-03 0.132D-02
 Coeff:      0.232D-01 0.707D-01 0.212D+00 0.693D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=1.20D-08 MaxDP=4.06D-07 DE=-5.14D-11 OVMax= 2.45D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.00D-09    CP:  9.73D-01  1.04D+00  7.13D-01  1.13D+00  8.56D-01
                    CP:  6.95D-01  9.20D-01  8.72D-01  7.79D-01  8.84D-01
 E= -607.534120212852     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 1.38D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -607.534120212852     IErMin=11 ErrMin= 1.38D-08
 ErrMax= 1.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-13 BMatP= 1.71D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.479D-06-0.761D-05 0.102D-04-0.127D-03-0.437D-03-0.417D-03
 Coeff-Com:  0.253D-02 0.107D-01 0.553D-01 0.301D+00 0.631D+00
 Coeff:      0.479D-06-0.761D-05 0.102D-04-0.127D-03-0.437D-03-0.417D-03
 Coeff:      0.253D-02 0.107D-01 0.553D-01 0.301D+00 0.631D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=3.63D-09 MaxDP=1.34D-07 DE=-2.46D-11 OVMax= 7.37D-08

 SCF Done:  E(RB3LYP) =  -607.534120213     A.U. after   11 cycles
            NFock= 11  Conv=0.36D-08     -V/T= 2.0056
 KE= 6.041432414846D+02 PE=-2.609308116619D+03 EE= 8.062678252990D+02
 Leave Link  502 at Thu Jul  8 18:23:04 2021, MaxMem= 10737418240 cpu:             951.6 elap:              59.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   284
 NBasis=   284 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    284 NOA=    39 NOB=    39 NVA=   245 NVB=   245

 **** Warning!!: The largest alpha MO coefficient is  0.71003889D+02

 Leave Link  801 at Thu Jul  8 18:23:04 2021, MaxMem= 10737418240 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4965 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.59D-13 8.33D-09 XBig12= 1.00D+00 3.55D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.59D-13 8.33D-09 XBig12= 4.30D-01 9.24D-02.
     11 vectors produced by pass  2 Test12= 1.59D-13 8.33D-09 XBig12= 6.04D-02 5.51D-02.
     11 vectors produced by pass  3 Test12= 1.59D-13 8.33D-09 XBig12= 9.70D-03 2.05D-02.
     11 vectors produced by pass  4 Test12= 1.59D-13 8.33D-09 XBig12= 9.04D-04 6.42D-03.
     11 vectors produced by pass  5 Test12= 1.59D-13 8.33D-09 XBig12= 2.35D-05 1.10D-03.
     11 vectors produced by pass  6 Test12= 1.59D-13 8.33D-09 XBig12= 4.11D-07 7.88D-05.
     11 vectors produced by pass  7 Test12= 1.59D-13 8.33D-09 XBig12= 9.05D-09 1.41D-05.
     11 vectors produced by pass  8 Test12= 1.59D-13 8.33D-09 XBig12= 9.81D-11 1.30D-06.
      8 vectors produced by pass  9 Test12= 1.59D-13 8.33D-09 XBig12= 9.74D-13 1.61D-07.
      1 vectors produced by pass 10 Test12= 1.59D-13 8.33D-09 XBig12= 7.04D-15 1.37D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.753679D+02
      2 -0.606797D+01  0.790191D+02
      3 -0.241550D-03  0.193500D-03  0.637881D+02
 Isotropic polarizability for W=    0.088559       72.73 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.455066D-02  0.197987D-02 -0.436321D+02
      2   0.264922D-02 -0.752334D-03 -0.841373D+00
      3   0.190143D-02 -0.122754D-02  0.444735D+02
      4   0.184105D-03  0.143394D-02 -0.144319D+02
      5  -0.199935D+02 -0.426859D+01  0.384347D-03
      6  -0.120369D+01  0.231769D+01 -0.192721D-02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.930631D+01  0.538846D+01  0.160404D-03
      2  -0.280878D+02 -0.101459D+02 -0.741870D-03
      3   0.310703D-03  0.641286D-05  0.132813D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.101633D+02  0.315906D+01  0.699675D-03
      2  -0.236386D+02 -0.132282D+02 -0.151708D-02
      3  -0.179577D-02  0.121528D-02  0.306489D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.186804D+01  0.311489D+01 -0.254788D-03
      2   0.311489D+01  0.201017D+01  0.146139D-03
      3  -0.254788D-03  0.146139D-03  0.346442D+00
 OR G Eigenvalues:    -3.5981     0.3464     3.7402  Iso=    -0.1629
 Eigenvectors:
   (1)   0.874211  -0.485547   0.000074
   (2)  -0.000066   0.000035   1.000000
   (3)   0.485547   0.874211   0.000001
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1629 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -55.02 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40470 ScalPx= 3.62D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.99D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.65D-14 2.78D-09 XBig12= 1.00D+00 3.71D-01.
     30 vectors produced by pass  1 Test12= 2.65D-14 2.78D-09 XBig12= 7.69D-02 8.21D-02.
     30 vectors produced by pass  2 Test12= 2.65D-14 2.78D-09 XBig12= 9.04D-04 7.00D-03.
     30 vectors produced by pass  3 Test12= 2.65D-14 2.78D-09 XBig12= 1.33D-05 5.93D-04.
     30 vectors produced by pass  4 Test12= 2.65D-14 2.78D-09 XBig12= 9.35D-08 3.62D-05.
     30 vectors produced by pass  5 Test12= 2.65D-14 2.78D-09 XBig12= 3.85D-10 3.40D-06.
     30 vectors produced by pass  6 Test12= 2.65D-14 2.78D-09 XBig12= 1.32D-12 1.60D-07.
      3 vectors produced by pass  7 Test12= 2.65D-14 2.78D-09 XBig12= 2.52D-15 7.30D-09.
      1 vectors produced by pass  8 Test12= 2.65D-14 2.78D-09 XBig12= 5.44D-16 3.35D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   214 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 1.26D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 1.26D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.88D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.753679D+02 -0.606797D+01 -0.241550D-03
      2  -0.606797D+01  0.790191D+02  0.193500D-03
      3  -0.241550D-03  0.193500D-03  0.637881D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.930631D+01  0.538846D+01  0.160404D-03
      2  -0.280878D+02 -0.101459D+02 -0.741870D-03
      3   0.310703D-03  0.641286D-05  0.132813D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.455066D-02  0.197987D-02 -0.436321D+02
      2   0.264922D-02 -0.752334D-03 -0.841373D+00
      3   0.190143D-02 -0.122754D-02  0.444735D+02
      4   0.184105D-03  0.143394D-02 -0.144319D+02
      5  -0.199935D+02 -0.426859D+01  0.384347D-03
      6  -0.120369D+01  0.231769D+01 -0.192721D-02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.331771D-01 -0.148382D+01  0.214372D+00  0.118717D+01 -0.959109D+00
      2  -0.148382D+01 -0.969981D+00 -0.107485D+01 -0.959109D+00  0.534936D+01
      3   0.214372D+00 -0.107485D+01 -0.107271D+01 -0.291012D-01  0.128875D+01
                 6             7             8             9            10 
      1  -0.291012D-01  0.158122D+01 -0.179321D+01 -0.162805D+00  0.162802D+01
      2   0.128875D+01 -0.179321D+01  0.136950D+01 -0.888123D+00 -0.238834D+01
      3   0.460698D+00 -0.162805D+00 -0.888123D+00 -0.287140D+00 -0.535529D+00
                11            12            13            14            15 
      1  -0.238834D+01 -0.535529D+00 -0.449057D+01  0.157271D+00 -0.118876D+01
      2  -0.237492D+00  0.216509D-01  0.157271D+00 -0.112950D+02 -0.209979D+01
      3   0.216509D-01  0.877174D+00 -0.118876D+01 -0.209979D+01 -0.305770D+01
                16            17            18            19            20 
      1  -0.118048D+01  0.312999D+00 -0.681737D-01 -0.588047D+01  0.154103D+01
      2   0.312999D+00 -0.270565D+01 -0.284496D+01  0.154103D+01 -0.739712D+00
      3  -0.681737D-01 -0.284496D+01 -0.250520D+01 -0.193533D+01  0.519753D+00
                21            22            23            24            25 
      1  -0.193533D+01 -0.717090D+00 -0.105666D+01 -0.434505D+00 -0.319745D+01
      2   0.519753D+00 -0.105666D+01 -0.195146D+01 -0.219033D+01  0.865006D+00
      3  -0.107333D+01 -0.434505D+00 -0.219033D+01 -0.603866D+00 -0.303147D+01
                26            27            28            29            30 
      1   0.865006D+00 -0.303147D+01 -0.460989D+01  0.176697D+01 -0.692074D-01
      2  -0.229628D+01  0.953154D+00  0.176697D+01  0.128995D+01  0.815145D-01
      3   0.953154D+00 -0.354710D+01 -0.692074D-01  0.815145D-01  0.241268D+01
                31            32            33            34            35 
      1   0.267379D+01  0.225325D+01 -0.746217D+00 -0.569737D+00  0.194981D+00
      2   0.225325D+01 -0.284413D+01 -0.944694D+00  0.194981D+00 -0.475846D+00
      3  -0.746217D+00 -0.944694D+00  0.361753D+01  0.242453D+01  0.223329D+01
                36            37            38            39            40 
      1   0.242453D+01  0.461050D+01 -0.176655D+01 -0.700446D-01 -0.267301D+01
      2   0.223329D+01 -0.176655D+01 -0.129000D+01  0.813124D-01 -0.225313D+01
      3  -0.255585D+01 -0.700446D-01  0.813124D-01 -0.241226D+01 -0.746241D+00
                41            42            43            44            45 
      1  -0.225313D+01 -0.746241D+00 -0.570364D+00  0.194642D+00 -0.242381D+01
      2   0.284472D+01 -0.945196D+00  0.194642D+00 -0.476403D+00 -0.223283D+01
      3  -0.945196D+00 -0.361701D+01 -0.242381D+01 -0.223283D+01 -0.255637D+01
                46            47            48            49            50 
      1   0.323446D-01  0.148357D+01  0.214722D+00 -0.118804D+01  0.958513D+00
      2   0.148357D+01  0.969264D+00 -0.107455D+01  0.958513D+00 -0.535004D+01
      3   0.214722D+00 -0.107455D+01  0.107203D+01 -0.287690D-01  0.128902D+01
                51            52            53            54            55 
      1  -0.287690D-01  0.158143D+01 -0.179279D+01  0.162233D+00 -0.162754D+01
      2   0.128902D+01 -0.179279D+01  0.136922D+01  0.887906D+00  0.238844D+01
      3  -0.460933D+00  0.162233D+00  0.887906D+00 -0.287002D+00 -0.535460D+00
                56            57            58            59            60 
      1   0.238844D+01 -0.535460D+00  0.449104D+01 -0.156799D+00 -0.118894D+01
      2   0.238040D+00  0.215433D-01 -0.156799D+00  0.112954D+02 -0.209977D+01
      3   0.215433D-01 -0.876924D+00 -0.118894D+01 -0.209977D+01  0.305787D+01
                61            62            63            64            65 
      1  -0.118023D+01  0.312949D+00  0.683374D-01 -0.431638D+01  0.148851D+01
      2   0.312949D+00 -0.270519D+01  0.284486D+01  0.148851D+01 -0.211920D+01
      3   0.683374D-01  0.284486D+01 -0.250484D+01  0.176732D+01 -0.247222D+00
                66            67            68            69            70 
      1   0.176732D+01 -0.733774D+00 -0.241232D+01  0.107503D+01  0.299672D+01
      2  -0.247222D+00 -0.241232D+01  0.618649D+01  0.204394D+01 -0.921297D-01
      3  -0.194573D+01  0.107503D+01  0.204394D+01 -0.161379D+00 -0.193088D+01
                71            72            73            74            75 
      1  -0.921297D-01 -0.193088D+01  0.431649D+01 -0.148837D+01  0.176731D+01
      2   0.204809D+01  0.158215D+01 -0.148837D+01  0.212010D+01 -0.247394D+00
      3   0.158215D+01  0.256632D+01  0.176731D+01 -0.247394D+00  0.194571D+01
                76            77            78            79            80 
      1   0.733920D+00  0.241274D+01  0.107491D+01  0.299587D+01 -0.920564D-01
      2   0.241274D+01 -0.618579D+01  0.204409D+01 -0.920564D-01  0.204824D+01
      3   0.107491D+01  0.204409D+01  0.161314D+00  0.193040D+01 -0.158221D+01
                81            82            83            84            85 
      1   0.193040D+01  0.588010D+01 -0.154104D+01 -0.193538D+01  0.716878D+00
      2  -0.158221D+01 -0.154104D+01  0.739759D+00  0.519688D+00  0.105653D+01
      3   0.256590D+01 -0.193538D+01  0.519688D+00  0.107347D+01 -0.434414D+00
                86            87            88            89            90 
      1   0.105653D+01 -0.434414D+00 -0.319728D+01  0.864987D+00  0.303144D+01
      2   0.195162D+01 -0.219033D+01  0.864987D+00 -0.229624D+01 -0.953222D+00
      3  -0.219033D+01  0.603805D+00  0.303144D+01 -0.953222D+00 -0.354740D+01
                91            92            93            94            95 
      1  -0.142877D+01 -0.884230D+00  0.199371D+01 -0.152008D+01 -0.107636D+01
      2  -0.884230D+00 -0.867125D+00  0.337561D+00 -0.107636D+01 -0.114953D+01
      3   0.199371D+01  0.337561D+00 -0.250629D+01  0.697089D+00  0.165658D+01
                96            97            98            99           100 
      1   0.697089D+00  0.236297D+01  0.541091D+00 -0.251087D+01  0.142853D+01
      2   0.165658D+01  0.541091D+00  0.169480D+01 -0.155168D+01  0.884214D+00
      3  -0.249583D+01 -0.251087D+01 -0.155168D+01  0.687448D+01  0.199372D+01
               101           102           103           104           105 
      1   0.884214D+00  0.199372D+01  0.151997D+01  0.107636D+01  0.697072D+00
      2   0.867130D+00  0.337574D+00  0.107636D+01  0.114953D+01  0.165656D+01
      3   0.337574D+00  0.250612D+01  0.697072D+00  0.165656D+01  0.249574D+01
               106           107           108           109           110 
      1   0.236300D+01  0.541127D+00  0.251067D+01  0.112787D+01 -0.978097D+00
      2   0.541127D+00  0.169495D+01  0.155168D+01 -0.978097D+00  0.792936D+00
      3   0.251067D+01  0.155168D+01  0.687439D+01  0.355353D+00  0.143544D+00
               111           112           113           114           115 
      1   0.355353D+00 -0.298467D+01  0.139539D+01  0.118853D+01  0.128471D+01
      2   0.143544D+00  0.139539D+01 -0.476898D+01  0.422126D+00 -0.239291D-02
      3   0.499980D-01  0.118853D+01  0.422126D+00 -0.195047D+01 -0.366952D+00
               116           117           118           119           120 
      1  -0.239291D-02 -0.366952D+00 -0.112780D+01  0.978085D+00  0.355474D+00
      2   0.107509D+01 -0.960860D+00  0.978085D+00 -0.792943D+00  0.143504D+00
      3  -0.960860D+00  0.506780D+00  0.355474D+00  0.143504D+00 -0.500136D-01
               121           122           123           124           125 
      1   0.298490D+01 -0.139532D+01  0.118851D+01  0.128495D+01 -0.238696D-02
      2  -0.139532D+01  0.476872D+01  0.422248D+00 -0.238696D-02  0.107516D+01
      3   0.118851D+01  0.422248D+00  0.195036D+01  0.366925D+00  0.960867D+00
               126           127           128           129           130 
      1   0.366925D+00  0.385812D+01  0.440617D+00 -0.179064D+01  0.189695D+01
      2   0.960867D+00  0.440617D+00  0.107086D+01  0.218163D+00  0.296495D+00
      3   0.506797D+00 -0.179064D+01  0.218163D+00  0.156312D+01 -0.562087D+00
               131           132           133           134           135 
      1   0.296495D+00 -0.562087D+00 -0.327819D+01 -0.263604D-01  0.120209D+01
      2   0.278597D+01 -0.176649D+00 -0.263604D-01 -0.709807D+00  0.486366D+00
      3  -0.176649D+00  0.126799D+01  0.120209D+01  0.486366D+00 -0.105223D+01
               136           137           138           139           140 
      1  -0.385795D+01 -0.440994D+00 -0.179039D+01 -0.189738D+01 -0.296847D+00
      2  -0.440994D+00 -0.107159D+01  0.218205D+00 -0.296847D+00 -0.278686D+01
      3  -0.179039D+01  0.218205D+00 -0.156304D+01 -0.562119D+00 -0.176560D+00
               141           142           143           144 
      1  -0.562119D+00 -0.327714D+01 -0.264527D-01 -0.120165D+01
      2  -0.176560D+00 -0.264527D-01 -0.709649D+00 -0.486378D+00
      3  -0.126812D+01 -0.120165D+01 -0.486378D+00 -0.105153D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.201503D+01 -0.344343D+01 -0.260866D+01 -0.418078D+01 -0.488561D+01
      2   0.109232D+02  0.600683D+01  0.672000D+01  0.694017D+01 -0.104071D+01
      3   0.286821D+01 -0.498051D+01 -0.307024D+01 -0.531481D+01  0.456451D+01
                 6             7             8             9            10 
      1   0.258799D+01  0.108550D+01  0.396724D+01  0.389591D+01  0.217757D+01
      2   0.240003D+01 -0.538386D+01  0.295221D+00 -0.992040D+01 -0.108502D+01
      3   0.324662D+01 -0.874266D+01  0.576335D+01 -0.306771D+01 -0.626755D+01
                11            12            13            14            15 
      1   0.618740D+00  0.901954D+00 -0.217164D+01  0.421909D+01 -0.100500D+02
      2  -0.215315D+01  0.120823D+00 -0.140828D+01  0.358774D+01  0.314801D+01
      3  -0.136305D+01  0.410976D+00  0.138513D+02 -0.170014D+02 -0.796585D+00
                16            17            18            19            20 
      1  -0.208197D+01  0.220323D+01 -0.446418D+01 -0.140740D+00  0.221454D+01
      2  -0.402651D+01  0.539526D+01  0.593752D+01 -0.152011D+01 -0.151002D+01
      3   0.502587D+01 -0.433530D+01 -0.393826D+01  0.112963D+01 -0.668900D+01
                21            22            23            24            25 
      1   0.205293D+01  0.216269D+01  0.523439D+01  0.147073D+01 -0.761812D+00
      2   0.484465D+01 -0.134131D+01  0.510077D+01  0.777235D+00  0.352472D+01
      3   0.410719D+00 -0.175069D+01 -0.821597D+01 -0.741500D+01 -0.115718D+00
                26            27            28            29            30 
      1   0.682586D+01  0.137131D+01  0.175785D+01  0.143430D+01 -0.310478D+00
      2   0.110716D+01  0.114452D+02  0.108703D+02 -0.527829D+00  0.129395D+01
      3  -0.955526D+01  0.113149D+01  0.103084D+01 -0.155964D+01 -0.266027D+00
                31            32            33            34            35 
      1   0.382425D+01 -0.376194D+01 -0.122087D+01  0.651760D+00  0.333887D+01
      2  -0.559859D+01 -0.179942D+01  0.111186D+01 -0.608259D+01 -0.458749D+00
      3   0.339807D+01 -0.177798D+01 -0.212147D+01 -0.298634D+00 -0.127815D+01
                36            37            38            39            40 
      1   0.255513D+01 -0.175711D+01 -0.143433D+01 -0.310601D+00 -0.382387D+01
      2   0.169830D+01 -0.108720D+02  0.526763D+00  0.129605D+01  0.559675D+01
      3   0.104762D+01  0.102983D+01 -0.155950D+01  0.266118D+00  0.339843D+01
                41            42            43            44            45 
      1   0.376350D+01 -0.122132D+01  0.651010D+00  0.333818D+01 -0.255422D+01
      2   0.179836D+01  0.111277D+01 -0.608056D+01 -0.457245D+00 -0.170075D+01
      3  -0.177917D+01  0.212194D+01  0.299233D+00  0.127863D+01  0.104665D+01
                46            47            48            49            50 
      1   0.201409D+01  0.344301D+01 -0.260693D+01  0.418016D+01  0.488414D+01
      2  -0.109220D+02 -0.600506D+01  0.671880D+01 -0.693713D+01  0.104183D+01
      3   0.286820D+01 -0.497969D+01  0.306951D+01 -0.531536D+01  0.456498D+01
                51            52            53            54            55 
      1   0.258849D+01  0.108506D+01  0.396743D+01 -0.389502D+01 -0.217735D+01
      2   0.239778D+01 -0.538423D+01  0.294533D+00  0.992118D+01  0.108585D+01
      3  -0.324683D+01  0.874056D+01 -0.576264D+01 -0.306673D+01 -0.626658D+01
                56            57            58            59            60 
      1  -0.618837D+00  0.901023D+00  0.217136D+01 -0.421893D+01 -0.100499D+02
      2   0.215283D+01  0.121007D+00  0.140700D+01 -0.358761D+01  0.314882D+01
      3  -0.136393D+01 -0.410809D+00  0.138511D+02 -0.170006D+02  0.796509D+00
                61            62            63            64            65 
      1  -0.208178D+01  0.220339D+01  0.446331D+01 -0.459018D+01 -0.293780D+01
      2  -0.402666D+01  0.539470D+01 -0.593649D+01  0.200572D+00 -0.219390D+01
      3  -0.502475D+01  0.433483D+01 -0.393806D+01 -0.132189D+02 -0.630452D+01
                66            67            68            69            70 
      1   0.560949D+01 -0.679319D+01  0.585449D+01 -0.167117D+01  0.550990D+01
      2   0.425086D+01 -0.590723D+00  0.758061D+00 -0.237233D+01 -0.233642D+01
      3   0.636034D+01 -0.268920D+00  0.399026D+01  0.638137D+01  0.101026D+02
                71            72            73            74            75 
      1   0.509773D+01 -0.424152D+01  0.459011D+01  0.293889D+01  0.560925D+01
      2  -0.142364D+01 -0.207903D+01 -0.201581D+00  0.219365D+01  0.425040D+01
      3   0.314749D+01 -0.335992D+01 -0.132192D+02 -0.630601D+01 -0.635958D+01
                76            77            78            79            80 
      1   0.679414D+01 -0.585392D+01 -0.167030D+01  0.550847D+01  0.509817D+01
      2   0.590938D+00 -0.758379D+00 -0.237237D+01 -0.233684D+01 -0.142365D+01
      3  -0.271421D+00  0.398926D+01 -0.638182D+01 -0.101005D+02 -0.314795D+01
                81            82            83            84            85 
      1   0.424008D+01  0.140996D+00 -0.221445D+01  0.205239D+01 -0.216217D+01
      2   0.207886D+01  0.152034D+01  0.150966D+01  0.484431D+01  0.134090D+01
      3  -0.335835D+01  0.112935D+01 -0.668891D+01 -0.410620D+00 -0.174924D+01
                86            87            88            89            90 
      1  -0.523461D+01  0.147115D+01 -0.761506D+00  0.682611D+01 -0.137163D+01
      2  -0.510087D+01  0.777634D+00  0.352394D+01  0.110701D+01 -0.114450D+02
      3  -0.821564D+01  0.741453D+01  0.115685D+00  0.955464D+01  0.113160D+01
                91            92            93            94            95 
      1  -0.930229D+00 -0.134506D+01 -0.611648D-02 -0.136194D+01 -0.135345D+01
      2   0.170456D+00  0.515334D+00 -0.101179D+00  0.190240D+01  0.753865D-01
      3  -0.371443D+00 -0.182628D+01  0.270152D+00  0.310550D+00 -0.122766D+01
                96            97            98            99           100 
      1   0.116359D+01  0.178656D+00  0.361170D+01 -0.125788D+01  0.930140D+00
      2   0.558638D+00 -0.303699D+01  0.261178D+00 -0.201176D+01 -0.170025D+00
      3   0.185304D+01 -0.289426D+00  0.226223D+01 -0.659678D+00 -0.371191D+00
               101           102           103           104           105 
      1   0.134500D+01 -0.626025D-02  0.136197D+01  0.135310D+01  0.116345D+01
      2  -0.515375D+00 -0.101339D+00 -0.190226D+01 -0.754307D-01  0.558545D+00
      3  -0.182614D+01 -0.270044D+00  0.310744D+00 -0.122732D+01 -0.185294D+01
               106           107           108           109           110 
      1   0.178669D+00  0.361164D+01  0.125731D+01  0.164589D+01  0.925540D+00
      2  -0.303702D+01  0.260970D+00  0.201222D+01 -0.904306D-01 -0.726014D+00
      3   0.289615D+00 -0.226239D+01 -0.659380D+00  0.288817D+01 -0.798675D+00
               111           112           113           114           115 
      1  -0.694525D+00  0.790211D+00  0.797431D+01 -0.422207D+01 -0.108089D+01
      2  -0.933699D-01  0.976437D+00  0.291427D+01 -0.507616D+01 -0.944148D+00
      3  -0.135708D+01  0.112471D+01  0.155192D+02 -0.432603D+01 -0.199656D+01
               116           117           118           119           120 
      1  -0.291716D+01  0.199267D+01 -0.164605D+01 -0.925833D+00 -0.694454D+00
      2  -0.348411D+01  0.332429D+01  0.903191D-01  0.726083D+00 -0.933753D-01
      3  -0.606953D+01  0.395025D+01  0.288844D+01 -0.798314D+00  0.135715D+01
               121           122           123           124           125 
      1  -0.790576D+00 -0.797363D+01 -0.422177D+01 -0.108079D+01 -0.291703D+01
      2  -0.976575D+00 -0.291428D+01 -0.507603D+01 -0.944223D+00 -0.348412D+01
      3   0.112547D+01  0.155193D+02  0.432658D+01  0.199706D+01  0.607025D+01
               126           127           128           129           130 
      1  -0.199233D+01  0.760161D+01  0.240823D+01 -0.494451D+01  0.354864D+01
      2  -0.332433D+01 -0.172928D+01  0.526424D+00 -0.108859D+01 -0.533576D+00
      3   0.395035D+01  0.134578D+02  0.376688D+01 -0.742129D+01  0.749107D+01
               131           132           133           134           135 
      1   0.219638D+01 -0.400631D+01 -0.501767D+01 -0.237288D+01  0.408909D+01
      2   0.101071D+00 -0.547206D+00 -0.556146D+00 -0.174989D+00  0.189924D+01
      3   0.263091D+01 -0.314302D+01 -0.109565D+02 -0.283860D+01  0.489568D+01
               136           137           138           139           140 
      1  -0.760156D+01 -0.240851D+01 -0.494450D+01 -0.354914D+01 -0.219741D+01
      2   0.172932D+01 -0.526133D+00 -0.108799D+01  0.533851D+00 -0.100794D+00
      3   0.134583D+02  0.376733D+01  0.742064D+01  0.749244D+01  0.263287D+01
               141           142           143           144 
      1  -0.400664D+01 -0.501649D+01 -0.237251D+01 -0.408792D+01
      2  -0.547214D+00 -0.555904D+00 -0.175044D+00 -0.189886D+01
      3   0.314298D+01  0.109541D+02  0.283840D+01  0.489445D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.606675D+01  0.313568D+00 -0.943050D+00  0.709494D+01  0.152857D+02
      2   0.350985D+01  0.662335D+00  0.421262D+01 -0.686406D+01 -0.235528D+02
      3   0.255690D+01 -0.975903D+00 -0.326957D+01 -0.230875D+00  0.826703D+01
      4   0.106932D+02  0.264335D+01  0.298439D+01 -0.101608D+02 -0.135654D+02
      5  -0.723687D+01  0.295892D+01  0.307391D+00 -0.211570D+01 -0.341863D+01
      6  -0.805330D+00 -0.288062D+01  0.856882D+01 -0.491946D+01 -0.791643D+01
                 6             7             8             9            10 
      1   0.490133D+01 -0.118536D+02  0.954790D+01  0.328480D+01  0.169633D-01
      2  -0.294343D+01  0.855399D+01 -0.953349D+01 -0.228780D+01  0.442860D+01
      3  -0.195789D+01  0.329963D+01 -0.144129D-01 -0.996999D+00 -0.444557D+01
      4  -0.621575D+01 -0.541300D+00 -0.808753D+01  0.226751D+01  0.558819D+01
      5   0.521660D+01  0.543048D+00  0.499770D+01 -0.645922D+01  0.120348D+01
      6  -0.130566D+02  0.665509D+00 -0.994780D+00 -0.387270D+01  0.362336D+01
                11            12            13            14            15 
      1   0.873395D+01  0.283618D+01  0.857726D+01 -0.283262D+02 -0.418476D+01
      2  -0.377542D+01 -0.203056D+01 -0.216129D+01  0.479380D+02  0.380154D+01
      3  -0.495853D+01 -0.805622D+00 -0.641597D+01 -0.196119D+02  0.383212D+00
      4   0.135691D+02  0.238042D+01  0.166904D+02  0.330838D+02  0.654937D+01
      5   0.248771D+01  0.461961D+01  0.678418D+01  0.161813D+01  0.536483D+01
      6   0.467307D+00 -0.264296D+01  0.251954D+01  0.167556D+02  0.177627D+02
                16            17            18            19            20 
      1   0.406120D+01 -0.105377D+02 -0.111799D+02  0.428615D+02 -0.589256D+01
      2  -0.296180D+01  0.754578D+01  0.286209D+01 -0.259446D+02  0.312325D+01
      3  -0.109940D+01  0.299193D+01  0.831779D+01 -0.169169D+02  0.276931D+01
      4   0.336561D+01  0.799536D+01  0.853358D+01 -0.900669D+01  0.857599D+01
      5   0.563056D+01  0.602541D+01  0.626341D+01  0.164644D+02 -0.355199D+01
      6  -0.162863D-01  0.152165D+02  0.122269D+02 -0.361445D+01  0.324189D+01
                21            22            23            24            25 
      1   0.838822D+01 -0.270711D+00  0.204421D+01  0.264640D+01  0.145694D+02
      2  -0.729428D+01  0.466513D+00 -0.197192D+01 -0.197948D+01 -0.126058D+02
      3  -0.109394D+01 -0.195802D+00 -0.722844D-01 -0.666914D+00 -0.196361D+01
      4  -0.339614D+01  0.108199D+02  0.640489D+01  0.957522D+01 -0.549900D+01
      5   0.144917D+02  0.599857D+00  0.103055D+02 -0.303118D+00  0.182874D+02
      6  -0.505548D+01  0.328971D+01 -0.192826D+01  0.780451D+01 -0.351440D+01
                26            27            28            29            30 
      1  -0.119654D+01  0.512243D+01  0.439895D+00 -0.321314D+01 -0.470044D+01
      2   0.971115D+00 -0.155195D+02  0.204162D+01  0.432687D+01 -0.470271D+01
      3   0.225430D+00  0.103971D+02 -0.248152D+01 -0.111373D+01  0.940315D+01
      4   0.109275D+02 -0.396973D+01 -0.281050D+01 -0.166815D+01  0.225430D+01
      5  -0.553414D+01  0.203314D+02  0.192235D+01  0.136825D+01 -0.735007D+01
      6   0.683247D+01 -0.584448D+01  0.674017D+01  0.403146D+01 -0.163378D+01
                31            32            33            34            35 
      1   0.137848D+01  0.320763D+01 -0.357175D+01 -0.207696D+01 -0.384103D+01
      2   0.318707D+01 -0.524347D+01 -0.742717D+01 -0.402088D+01 -0.148062D+01
      3  -0.456555D+01  0.203583D+01  0.109989D+02  0.609785D+01  0.532166D+01
      4  -0.760506D+01  0.464516D+01  0.214871D+01  0.207023D+01  0.291110D+01
      5   0.255699D+01  0.592898D+01 -0.738021D+01 -0.525528D+01 -0.471820D+01
      6   0.237788D+01 -0.354309D+01 -0.901221D+01 -0.130237D+01  0.232633D+00
                36            37            38            39            40 
      1  -0.405440D+00  0.441448D+00 -0.321281D+01  0.469945D+01  0.137918D+01
      2   0.103553D+02  0.204122D+01  0.432726D+01  0.470263D+01  0.318607D+01
      3  -0.994987D+01 -0.248267D+01 -0.111445D+01 -0.940208D+01 -0.456525D+01
      4  -0.312029D+01 -0.280914D+01 -0.166808D+01 -0.225440D+01 -0.760476D+01
      5   0.151857D+02 -0.192314D+01 -0.136805D+01 -0.734895D+01 -0.255677D+01
      6   0.968403D+01 -0.673993D+01 -0.403210D+01 -0.163342D+01 -0.237869D+01
                41            42            43            44            45 
      1   0.320799D+01  0.357070D+01  0.207558D+01  0.383967D+01 -0.404335D+00
      2  -0.524296D+01  0.742675D+01  0.402062D+01  0.148149D+01  0.103542D+02
      3   0.203496D+01 -0.109975D+02 -0.609621D+01 -0.532116D+01 -0.994989D+01
      4   0.464720D+01 -0.215021D+01 -0.207077D+01 -0.291232D+01 -0.311926D+01
      5  -0.593068D+01 -0.737880D+01 -0.525245D+01 -0.471686D+01 -0.151871D+02
      6   0.354386D+01 -0.901340D+01 -0.130190D+01  0.232790D+00 -0.968437D+01
                46            47            48            49            50 
      1  -0.606749D+01  0.314373D+00  0.943399D+00  0.709383D+01  0.152841D+02
      2   0.351030D+01  0.660680D+00 -0.421294D+01 -0.686397D+01 -0.235525D+02
      3   0.255719D+01 -0.975053D+00  0.326954D+01 -0.229860D+00  0.826841D+01
      4   0.106922D+02  0.264140D+01 -0.298358D+01 -0.101631D+02 -0.135674D+02
      5   0.723813D+01 -0.295827D+01  0.306029D+00  0.211647D+01  0.341904D+01
      6   0.805402D+00  0.288164D+01  0.856723D+01  0.491920D+01  0.791668D+01
                51            52            53            54            55 
      1  -0.490018D+01  0.118532D+02 -0.954589D+01  0.328361D+01  0.192305D-01
      2   0.294384D+01 -0.855289D+01  0.953199D+01 -0.228757D+01  0.442775D+01
      3   0.195634D+01 -0.330033D+01  0.138922D-01 -0.996037D+00 -0.444698D+01
      4   0.621576D+01  0.541371D+00  0.808704D+01  0.226708D+01  0.558962D+01
      5   0.521548D+01  0.541348D+00  0.499704D+01  0.645993D+01 -0.120407D+01
      6  -0.130560D+02  0.665050D+00 -0.995148D+00  0.387175D+01 -0.362315D+01
                56            57            58            59            60 
      1   0.873332D+01 -0.283554D+01  0.857683D+01 -0.283248D+02  0.418381D+01
      2  -0.377404D+01  0.203044D+01 -0.216006D+01  0.479382D+02 -0.380137D+01
      3  -0.495928D+01  0.805094D+00 -0.641677D+01 -0.196135D+02 -0.382440D+00
      4   0.135716D+02 -0.238039D+01  0.166922D+02  0.330857D+02 -0.654909D+01
      5  -0.248756D+01  0.462009D+01 -0.678478D+01 -0.161792D+01  0.536585D+01
      6  -0.468367D+00 -0.264179D+01 -0.251957D+01 -0.167557D+02  0.177619D+02
                61            62            63            64            65 
      1  -0.406032D+01  0.105364D+02 -0.111785D+02  0.723847D+01  0.154292D+01
      2   0.296138D+01 -0.754424D+01  0.286240D+01 -0.395810D+01 -0.548367D+01
      3   0.109895D+01 -0.299212D+01  0.831614D+01 -0.328037D+01  0.394074D+01
      4  -0.336526D+01 -0.799419D+01  0.853368D+01 -0.114241D+02  0.108888D+02
      5   0.563080D+01  0.602548D+01 -0.626270D+01 -0.281386D+01  0.229307D+01
      6  -0.154970D-01  0.152162D+02 -0.122258D+02  0.884214D+01 -0.489263D+01
                66            67            68            69            70 
      1   0.200586D+01 -0.917439D+00 -0.126697D+02 -0.390142D+01  0.838001D+00
      2   0.120083D+01 -0.464407D+01  0.213928D+02  0.608060D+01  0.961760D+00
      3  -0.320668D+01  0.556151D+01 -0.872315D+01 -0.217918D+01 -0.179976D+01
      4   0.446814D+01  0.101475D+02 -0.147904D+02 -0.272221D+01  0.704715D+01
      5   0.914457D+01  0.125647D+01 -0.890821D+01 -0.180213D+01  0.705152D+01
      6  -0.550584D+01 -0.183416D+01  0.136281D+02  0.122167D+02 -0.597517D+01
                71            72            73            74            75 
      1  -0.594688D+01 -0.566536D+01  0.723964D+01  0.154474D+01 -0.200541D+01
      2   0.430191D+01 -0.320509D+01 -0.395984D+01 -0.548684D+01 -0.120091D+01
      3   0.164498D+01  0.887045D+01 -0.327981D+01  0.394210D+01  0.320632D+01
      4  -0.505466D+01 -0.597108D+01 -0.114249D+02  0.108886D+02 -0.446832D+01
      5  -0.426314D+01 -0.496510D+01  0.281524D+01 -0.229356D+01  0.914507D+01
      6   0.907596D+01  0.102678D+02 -0.884171D+01  0.489343D+01 -0.550587D+01
                76            77            78            79            80 
      1  -0.916419D+00 -0.126670D+02  0.390162D+01 -0.837215D+00  0.594758D+01
      2  -0.464510D+01  0.213885D+02 -0.608070D+01 -0.962324D+00 -0.430289D+01
      3   0.556152D+01 -0.872149D+01  0.217907D+01  0.179954D+01 -0.164468D+01
      4   0.101472D+02 -0.147918D+02  0.272289D+01 -0.704611D+01  0.505403D+01
      5  -0.125664D+01  0.890954D+01 -0.180289D+01  0.705165D+01 -0.426356D+01
      6   0.183484D+01 -0.136282D+02  0.122170D+02 -0.597383D+01  0.907540D+01
                81            82            83            84            85 
      1  -0.566478D+01  0.428580D+02 -0.589285D+01 -0.838830D+01 -0.271392D+00
      2  -0.320563D+01 -0.259432D+02  0.312372D+01  0.729441D+01  0.466972D+00
      3   0.887041D+01 -0.169148D+02  0.276914D+01  0.109389D+01 -0.195580D+00
      4  -0.597072D+01 -0.900690D+01  0.857572D+01  0.339578D+01  0.108193D+02
      5   0.496515D+01 -0.164648D+02  0.355179D+01  0.144917D+02 -0.599677D+00
      6  -0.102668D+02  0.361404D+01 -0.324195D+01 -0.505505D+01 -0.328896D+01
                86            87            88            89            90 
      1   0.204379D+01 -0.264648D+01 -0.145682D+02  0.119625D+01  0.512147D+01
      2  -0.197236D+01  0.197931D+01  0.126050D+02 -0.971139D+00 -0.155196D+02
      3  -0.714355D-01  0.667165D+00  0.196326D+01 -0.225115D+00  0.103981D+02
      4   0.640522D+01 -0.957460D+01  0.549909D+01 -0.109273D+02 -0.396996D+01
      5  -0.103048D+02 -0.303383D+00  0.182871D+02 -0.553427D+01 -0.203320D+02
      6   0.192810D+01  0.780390D+01 -0.351439D+01  0.683293D+01  0.584494D+01
                91            92            93            94            95 
      1   0.309534D+01  0.137829D+01 -0.403375D+00  0.412989D+00 -0.247613D+01
      2  -0.743308D+01 -0.201816D+01  0.750526D+01 -0.178859D+01 -0.182125D+01
      3   0.433774D+01  0.639870D+00 -0.710188D+01  0.137560D+01  0.429738D+01
      4   0.302160D+01  0.349758D+01 -0.209012D+01  0.451939D+01  0.364910D+01
      5  -0.998403D+01 -0.276754D+01  0.138092D+02 -0.390668D+01 -0.578882D+01
      6  -0.360162D+01 -0.256871D+01  0.306978D+01 -0.338192D+01 -0.573010D+01
                96            97            98            99           100 
      1   0.419059D+01  0.222394D+00  0.266230D+01 -0.104844D+02  0.309506D+01
      2   0.404566D+01  0.718537D+01  0.319000D+01 -0.179068D+02 -0.743271D+01
      3  -0.823625D+01 -0.740777D+01 -0.585231D+01  0.283912D+02  0.433765D+01
      4  -0.431488D+01 -0.222252D+01 -0.381671D+01  0.372239D+01  0.302155D+01
      5   0.804347D+01  0.125316D+02  0.475095D+01 -0.221286D+02  0.998380D+01
      6   0.985585D+01  0.301369D+01  0.650173D+01 -0.974468D+01  0.360200D+01
               101           102           103           104           105 
      1   0.137827D+01  0.403635D+00  0.412902D+00 -0.247613D+01 -0.419036D+01
      2  -0.201816D+01 -0.750473D+01 -0.178829D+01 -0.182109D+01 -0.404525D+01
      3   0.639881D+00  0.710110D+01  0.137539D+01  0.429722D+01  0.823561D+01
      4   0.349768D+01  0.209028D+01  0.451938D+01  0.364922D+01  0.431499D+01
      5   0.276763D+01  0.138085D+02  0.390649D+01  0.578888D+01  0.804326D+01
      6   0.256876D+01  0.306982D+01  0.338195D+01  0.573025D+01  0.985582D+01
               106           107           108           109           110 
      1  -0.221952D+00 -0.266230D+01 -0.104842D+02  0.479494D+01 -0.446530D+01
      2  -0.718502D+01 -0.319010D+01 -0.179058D+02 -0.994430D+00  0.729090D+00
      3   0.740697D+01  0.585240D+01  0.283899D+02 -0.380051D+01  0.373621D+01
      4   0.222271D+01  0.381707D+01  0.372260D+01 -0.560632D+01  0.482991D+01
      5   0.125309D+02  0.475116D+01  0.221285D+02  0.177256D+01  0.680688D+00
      6   0.301386D+01  0.650191D+01  0.974552D+01  0.324238D-01 -0.182914D+00
               111           112           113           114           115 
      1   0.856945D+00 -0.120549D+02  0.319149D+01  0.310277D+01  0.707168D+01
      2  -0.106102D+01  0.499012D+01  0.403162D+01 -0.384028D+01 -0.361031D+01
      3   0.204070D+00  0.706477D+01 -0.722311D+01  0.737508D+00 -0.346137D+01
      4  -0.465467D+00  0.896923D+01 -0.214861D+02  0.657005D+00 -0.917986D+00
      5   0.165416D+00  0.550298D+01  0.187304D+01 -0.764470D+01 -0.899372D+00
      6  -0.332696D-01 -0.280278D+01  0.504878D+01  0.222351D+01  0.464321D+00
               116           117           118           119           120 
      1  -0.118754D+01 -0.172278D+01  0.479458D+01 -0.446522D+01 -0.857401D+00
      2  -0.266684D+00  0.225680D+01 -0.994155D+00  0.728896D+00  0.106132D+01
      3   0.145422D+01 -0.534027D+00 -0.380043D+01  0.373632D+01 -0.203917D+00
      4   0.473904D+01 -0.317468D+01 -0.560625D+01  0.482984D+01  0.465676D+00
      5  -0.382168D+01  0.333421D+01 -0.177312D+01 -0.680429D+00  0.165369D+00
      6   0.993786D+00  0.252625D+00 -0.322369D-01  0.182717D+00 -0.333725D-01
               121           122           123           124           125 
      1  -0.120561D+02  0.319181D+01 -0.310275D+01 -0.707273D+01  0.118758D+01
      2   0.499082D+01  0.403096D+01  0.384027D+01  0.361098D+01  0.266542D+00
      3   0.706527D+01 -0.722277D+01 -0.737525D+00  0.346175D+01 -0.145412D+01
      4   0.896923D+01 -0.214856D+02 -0.657682D+00  0.918296D+00 -0.473954D+01
      5  -0.550272D+01 -0.187376D+01 -0.764463D+01 -0.899083D+00 -0.382192D+01
      6   0.280236D+01 -0.504807D+01  0.222297D+01  0.464119D+00  0.993677D+00
               126           127           128           129           130 
      1  -0.172257D+01 -0.213492D+01 -0.244312D+01 -0.314353D+01 -0.219639D+01
      2   0.225659D+01  0.322716D+01  0.445827D+01 -0.728604D+00  0.276764D+01
      3  -0.534021D+00 -0.109224D+01 -0.201514D+01  0.387214D+01 -0.571251D+00
      4  -0.317492D+01  0.651019D+01 -0.282825D+01 -0.227652D+01  0.430344D+01
      5  -0.333455D+01  0.175852D+01  0.135343D+01 -0.329410D+01  0.166776D+01
      6  -0.252730D+00 -0.469184D+01  0.440407D+01  0.323251D+01 -0.133421D+01
               131           132           133           134           135 
      1  -0.659702D+01 -0.384879D+00  0.149421D+01  0.157822D+01 -0.212401D+00
      2   0.119065D+02 -0.195554D+01 -0.139429D+01 -0.362832D+01  0.218257D+01
      3  -0.530948D+01  0.234041D+01 -0.999208D-01  0.205010D+01 -0.197017D+01
      4  -0.976016D+00 -0.681184D+00 -0.535565D+01  0.383423D+01  0.171216D+01
      5   0.729159D+00 -0.149474D+01 -0.206081D+00 -0.470954D+00  0.247611D+01
      6   0.182248D+01  0.410063D+01  0.363021D+01  0.165114D+01 -0.252921D+01
               136           137           138           139           140 
      1  -0.213535D+01 -0.244507D+01  0.314304D+01 -0.219776D+01 -0.659931D+01
      2   0.322833D+01  0.446122D+01  0.728409D+00  0.276960D+01  0.119105D+02
      3  -0.109298D+01 -0.201615D+01 -0.387145D+01 -0.571839D+00 -0.531119D+01
      4   0.651023D+01 -0.282596D+01  0.227614D+01  0.430435D+01 -0.975611D+00
      5  -0.175882D+01 -0.135389D+01 -0.329338D+01 -0.166821D+01 -0.729370D+00
      6   0.469073D+01 -0.440399D+01  0.323266D+01  0.133401D+01 -0.182385D+01
               141           142           143           144 
      1   0.385220D+00 -0.149446D+01 -0.157810D+01 -0.213083D+00
      2   0.195550D+01  0.139437D+01  0.362854D+01  0.218233D+01
      3  -0.234072D+01  0.100098D+00 -0.205044D+01 -0.196925D+01
      4   0.681422D+00  0.535416D+01 -0.383315D+01  0.171165D+01
      5  -0.149490D+01 -0.205658D+00 -0.471005D+00 -0.247538D+01
      6   0.410087D+01  0.362913D+01  0.165187D+01  0.252745D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:34:05 2021, MaxMem= 10737418240 cpu:           10551.3 elap:             660.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.22743 -19.22742 -19.19566 -19.19565 -19.17716
 Alpha  occ. eigenvalues --  -19.17715 -10.35460 -10.35460 -10.29648 -10.29630
 Alpha  occ. eigenvalues --   -1.15561  -1.14992  -1.08472  -1.08166  -1.06852
 Alpha  occ. eigenvalues --   -1.05685  -0.80778  -0.72913  -0.65201  -0.65089
 Alpha  occ. eigenvalues --   -0.60925  -0.57641  -0.57474  -0.51766  -0.51464
 Alpha  occ. eigenvalues --   -0.49899  -0.49013  -0.46651  -0.45577  -0.45188
 Alpha  occ. eigenvalues --   -0.42064  -0.41508  -0.37995  -0.37949  -0.36339
 Alpha  occ. eigenvalues --   -0.35930  -0.35838  -0.30395  -0.30074
 Alpha virt. eigenvalues --   -0.04787  -0.03399  -0.01476  -0.01126   0.00408
 Alpha virt. eigenvalues --    0.00665   0.03172   0.03641   0.04032   0.05471
 Alpha virt. eigenvalues --    0.05733   0.07211   0.07301   0.07658   0.08728
 Alpha virt. eigenvalues --    0.08760   0.09653   0.09677   0.09716   0.09940
 Alpha virt. eigenvalues --    0.11027   0.12465   0.12618   0.13488   0.14414
 Alpha virt. eigenvalues --    0.15098   0.15203   0.16247   0.17786   0.17826
 Alpha virt. eigenvalues --    0.18373   0.19033   0.19390   0.20062   0.20469
 Alpha virt. eigenvalues --    0.21200   0.21702   0.22593   0.22641   0.23003
 Alpha virt. eigenvalues --    0.23923   0.24018   0.24260   0.24829   0.25924
 Alpha virt. eigenvalues --    0.26233   0.26808   0.27378   0.27501   0.27777
 Alpha virt. eigenvalues --    0.28580   0.29717   0.29784   0.31001   0.31903
 Alpha virt. eigenvalues --    0.32863   0.33560   0.35265   0.35822   0.35881
 Alpha virt. eigenvalues --    0.36800   0.37826   0.39127   0.39620   0.41390
 Alpha virt. eigenvalues --    0.42482   0.42628   0.44123   0.44637   0.45355
 Alpha virt. eigenvalues --    0.46949   0.47237   0.48923   0.49597   0.51276
 Alpha virt. eigenvalues --    0.51900   0.52898   0.53014   0.55532   0.55814
 Alpha virt. eigenvalues --    0.57269   0.58022   0.58326   0.58430   0.60235
 Alpha virt. eigenvalues --    0.60415   0.61866   0.63293   0.63481   0.65078
 Alpha virt. eigenvalues --    0.65493   0.67608   0.68229   0.69069   0.69953
 Alpha virt. eigenvalues --    0.71801   0.72528   0.73982   0.76270   0.76851
 Alpha virt. eigenvalues --    0.78084   0.78174   0.80664   0.81653   0.83058
 Alpha virt. eigenvalues --    0.83796   0.85131   0.86955   0.88329   0.90008
 Alpha virt. eigenvalues --    0.92398   0.93777   0.94660   0.97867   0.98142
 Alpha virt. eigenvalues --    1.00757   1.00757   1.01254   1.02793   1.04188
 Alpha virt. eigenvalues --    1.04747   1.05722   1.07409   1.07656   1.10689
 Alpha virt. eigenvalues --    1.12645   1.13672   1.14718   1.15190   1.16732
 Alpha virt. eigenvalues --    1.17699   1.19135   1.20199   1.21472   1.21691
 Alpha virt. eigenvalues --    1.24365   1.25747   1.26756   1.28913   1.30076
 Alpha virt. eigenvalues --    1.32581   1.32996   1.36952   1.38592   1.40332
 Alpha virt. eigenvalues --    1.40751   1.40963   1.45502   1.46067   1.46965
 Alpha virt. eigenvalues --    1.47792   1.50070   1.51749   1.53675   1.54653
 Alpha virt. eigenvalues --    1.57815   1.57962   1.63224   1.64741   1.66920
 Alpha virt. eigenvalues --    1.68880   1.69309   1.72278   1.75358   1.75717
 Alpha virt. eigenvalues --    1.75737   1.78854   1.79680   1.82097   1.83845
 Alpha virt. eigenvalues --    1.85892   1.86376   1.89023   1.91003   1.91682
 Alpha virt. eigenvalues --    1.95979   1.95987   1.99592   2.03333   2.04183
 Alpha virt. eigenvalues --    2.07259   2.08266   2.10373   2.13151   2.15542
 Alpha virt. eigenvalues --    2.17581   2.18240   2.19546   2.23368   2.24177
 Alpha virt. eigenvalues --    2.28729   2.29796   2.32664   2.33098   2.39078
 Alpha virt. eigenvalues --    2.39822   2.45123   2.48555   2.50868   2.51126
 Alpha virt. eigenvalues --    2.56808   2.63345   2.64745   2.70267   2.73494
 Alpha virt. eigenvalues --    2.76144   2.76497   2.87878   2.95680   3.01046
 Alpha virt. eigenvalues --    3.13702   3.18973   3.21782   3.25890   3.26240
 Alpha virt. eigenvalues --    3.31553   3.32541   3.33207   3.34693   3.34997
 Alpha virt. eigenvalues --    3.37593   3.39953   3.40421   3.40952   3.42936
 Alpha virt. eigenvalues --    3.43554   3.44283   3.44858   3.48949   3.49271
 Alpha virt. eigenvalues --    3.52857   3.55725   3.59412   3.59479   3.63781
 Alpha virt. eigenvalues --    3.65532   3.69668   3.69797   3.77879   3.79696
 Alpha virt. eigenvalues --    3.80153   3.93740   3.96307   4.00582   4.00641
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.190674   0.180539  -0.201100  -0.498054  -0.210405  -0.083582
     2  O    0.180539   8.386229  -0.104453   0.034060   0.025312   0.006418
     3  O   -0.201100  -0.104453   8.356990   0.104135   0.016469   0.019032
     4  C   -0.498054   0.034060   0.104135   6.202998  -0.265396  -0.210447
     5  C   -0.210405   0.025312   0.016469  -0.265396   6.202897  -0.498051
     6  C   -0.083582   0.006418   0.019032  -0.210447  -0.498051   6.190740
     7  O    0.006414   0.000847   0.002916   0.025346   0.034054   0.180509
     8  O    0.056626  -0.016431  -0.045815  -0.167990   0.046481   0.000320
     9  O    0.000320  -0.042391  -0.004997   0.046452  -0.167971   0.056632
    10  O    0.019028   0.002920  -0.002263   0.016488   0.104103  -0.201117
    11  H   -0.138336   0.014781   0.018077  -0.434391   0.343040   0.003941
    12  H    0.003929   0.007026   0.003628   0.343105  -0.434399  -0.138365
    13  H   -0.009412  -0.001273   0.001194  -0.013062  -0.035233  -0.049507
    14  H   -0.049497   0.016387   0.249762  -0.035253  -0.013065  -0.009410
    15  H   -0.038182   0.003138  -0.002124   0.010838   0.001157  -0.040474
    16  H   -0.040458   0.062439   0.005641   0.001162   0.010872  -0.038177
               7          8          9         10         11         12
     1  C    0.006414   0.056626   0.000320   0.019028  -0.138336   0.003929
     2  O    0.000847  -0.016431  -0.042391   0.002920   0.014781   0.007026
     3  O    0.002916  -0.045815  -0.004997  -0.002263   0.018077   0.003628
     4  C    0.025346  -0.167990   0.046452   0.016488  -0.434391   0.343105
     5  C    0.034054   0.046481  -0.167971   0.104103   0.343040  -0.434399
     6  C    0.180509   0.000320   0.056632  -0.201117   0.003941  -0.138365
     7  O    8.386287  -0.042404  -0.016429  -0.104456   0.007023   0.014779
     8  O   -0.042404   8.543784   0.003555  -0.004998  -0.109278   0.002531
     9  O   -0.016429   0.003555   8.543742  -0.045813   0.002530  -0.109250
    10  O   -0.104456  -0.004998  -0.045813   8.357020   0.003628   0.018082
    11  H    0.007023  -0.109278   0.002530   0.003628   1.817751  -0.155239
    12  H    0.014779   0.002531  -0.109250   0.018082  -0.155239   1.817701
    13  H    0.016387  -0.000804   0.033132   0.249764   0.001172   0.005469
    14  H   -0.001273   0.033131  -0.000803   0.001195   0.005469   0.001172
    15  H    0.062446   0.245168  -0.001084   0.005644   0.019392  -0.003693
    16  H    0.003136  -0.001084   0.245197  -0.002126  -0.003686   0.019375
              13         14         15         16
     1  C   -0.009412  -0.049497  -0.038182  -0.040458
     2  O   -0.001273   0.016387   0.003138   0.062439
     3  O    0.001194   0.249762  -0.002124   0.005641
     4  C   -0.013062  -0.035253   0.010838   0.001162
     5  C   -0.035233  -0.013065   0.001157   0.010872
     6  C   -0.049507  -0.009410  -0.040474  -0.038177
     7  O    0.016387  -0.001273   0.062446   0.003136
     8  O   -0.000804   0.033131   0.245168  -0.001084
     9  O    0.033132  -0.000803  -0.001084   0.245197
    10  O    0.249764   0.001195   0.005644  -0.002126
    11  H    0.001172   0.005469   0.019392  -0.003686
    12  H    0.005469   0.001172  -0.003693   0.019375
    13  H    0.645529  -0.000539  -0.000425   0.008539
    14  H   -0.000539   0.645534   0.008547  -0.000424
    15  H   -0.000425   0.008547   0.599269  -0.000303
    16  H    0.008539  -0.000424  -0.000303   0.599222
 Mulliken charges:
               1
     1  C    0.811497
     2  O   -0.575547
     3  O   -0.417094
     4  C    0.840006
     5  C    0.840133
     6  C    0.811539
     7  O   -0.575583
     8  O   -0.542794
     9  O   -0.542822
    10  O   -0.417100
    11  H   -0.395876
    12  H   -0.395854
    13  H    0.149067
    14  H    0.149066
    15  H    0.130684
    16  H    0.130677
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.811497
     2  O   -0.575547
     3  O   -0.268028
     4  C    0.444130
     5  C    0.444279
     6  C    0.811539
     7  O   -0.575583
     8  O   -0.412110
     9  O   -0.412146
    10  O   -0.268032
 Electronic spatial extent (au):  <R**2>=           1292.2719
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=             -0.0002    Z=              2.4131  Tot=              2.4131
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -59.3044   YY=            -62.5343   ZZ=            -60.6342
   XY=             -5.5478   XZ=             -0.0004   YZ=             -0.0005
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.5199   YY=             -1.7100   ZZ=              0.1901
   XY=             -5.5478   XZ=             -0.0004   YZ=             -0.0005
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0007  YYY=             -0.0033  ZZZ=              2.7475  XYY=             -0.0000
  XXY=              0.0002  XXZ=             10.8726  XZZ=             -0.0003  YZZ=              0.0002
  YYZ=             -4.0919  XYZ=             14.5312
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -815.7309 YYYY=           -458.1196 ZZZZ=           -269.1586 XXXY=            -38.8241
 XXXZ=             -0.0027 YYYX=            -28.7371 YYYZ=             -0.0038 ZZZX=             -0.0005
 ZZZY=              0.0009 XXYY=           -211.3476 XXZZ=           -195.4315 YYZZ=           -138.4805
 XXYZ=              0.0016 YYXZ=             -0.0010 ZZXY=              2.9952
 N-N= 5.913629296224D+02 E-N=-2.609308114608D+03  KE= 6.041432414846D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:34:06 2021, MaxMem= 10737418240 cpu:               5.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.19188643D-05-1.01865537D-04 9.35564656D-01
 Polarizability= 6.82333002D+01-5.89844644D+00 7.18317221D+01
                -2.96794281D-04 1.99158540D-04 5.71173438D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0001    0.0001       -3.0339   -3.0340
 2     -0.0001   -0.0001       -0.0001   -0.0001        1.8265    1.8256
 3      3.0339    3.0340        5.7884    5.7899        0.0001    0.0001
 4      0.0001    0.0001       -0.0000    0.0000        3.0345    3.0340
 5     -7.6150   -7.6155       -3.0345   -3.0340        0.0001    0.0001
 6     -0.0001   -0.0001       -0.0001   -0.0001        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0004   -0.0004       -9.1020   -9.1020
 2      0.0003    0.0003        0.0000    0.0000       -9.1020   -9.1020
 3      0.0003    0.0003       -0.0004   -0.0004       -0.0000    0.0000
 4     -0.0004   -0.0004       -0.0003   -0.0003        5.4768    5.4768
 5      9.1020    9.1020       17.3697   17.3697        0.0003    0.0003
 6    -22.8465  -22.8465       -9.1020   -9.1020        0.0004    0.0004
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0005   -0.0005       12.1324   12.1359
 2      0.0005    0.0005        0.0004    0.0004       -7.3329   -7.3024
 3    -12.1382  -12.1359      -23.2058  -23.1595       -0.0004   -0.0004
 4     -0.0004   -0.0004       -0.0000    0.0000      -12.1124  -12.1359
 5     30.4399   30.4619       12.1713   12.1359       -0.0005   -0.0005
 6      0.0004    0.0004        0.0005    0.0005        0.0275    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0004    0.0005       22.6747   22.6994
 2     -0.0004   -0.0005       -0.0007   -0.0007       38.8678   38.9044
 3    -22.7168  -22.6994      -15.8575  -15.9564        0.0007    0.0007
 4      0.0007    0.0007        0.0000    0.0000      -22.6799  -22.6994
 5    -22.8988  -22.9480       22.7351   22.6994        0.0005    0.0005
 6     -0.0007   -0.0007       -0.0005   -0.0005       -0.0253    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0007    0.0007       -0.0021   -0.0021      -22.3689  -22.3112
 2      0.0010    0.0010       -0.0032   -0.0032      -22.3231  -22.3112
 3      0.0010    0.0010       -0.0021   -0.0021      -42.7834  -42.7907
 4      0.0011    0.0011       -0.0003   -0.0003       46.8576   46.7830
 5    -20.4674  -20.4796      -14.1752  -14.1968        0.0003    0.0003
 6    -32.5439  -32.5862       20.5385   20.4796       -0.0011   -0.0011
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.5824   -4.8554   -2.4419    0.0002    0.0005    0.0006
 Low frequencies ---   60.1483   80.2874   98.5271
 Diagonal vibrational polarizability:
       56.9005948      18.0374059      31.6821870
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     60.1483                80.2874                98.5269
 Red. masses --      9.4010                11.0952                10.0636
 Frc consts  --      0.0200                 0.0421                 0.0576
 IR Inten    --      1.4532                 0.3799                 4.5348
 RamAct Fr= 1--      1.3491                 0.9561                 0.5539
  Dep-P Fr= 1--      0.7468                 0.7114                 0.7500
  Dep-U Fr= 1--      0.8550                 0.8313                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0000
 Beta2  Fr= 1--      0.1923                 0.1325                 0.0791
 AlphaG Fr= 1--      0.0019                 0.0008                -0.0000
 Gamma2 Fr= 1--     -0.2747                -0.0889                 0.0443
 Delta2 Fr= 1--     -0.0598                -0.0258                 0.0375
 Raman1 Fr= 1--       5.396                  3.824                  2.216
 ROA1   Fr= 1--     -28.289                 -9.366                  5.455
 CID1   Fr= 1--      -5.242                 -2.449                  2.462
 Raman2 Fr= 1--       2.307                  1.590                  0.950
 ROA2   Fr= 1--      -6.115                 -1.928                  0.764
 CID2   Fr= 1--      -2.651                 -1.213                  0.805
 Raman3 Fr= 1--       4.614                  3.179                  1.899
 ROA3   Fr= 1--     -28.289                 -9.366                  5.455
 CID3   Fr= 1--      -6.131                 -2.946                  2.872
 RC180  Fr= 1--       0.710                  0.663                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.04    -0.17  -0.07   0.05     0.04  -0.01  -0.05
     2   8    -0.19  -0.20   0.30    -0.23  -0.09   0.09     0.28   0.09  -0.22
     3   8     0.22  -0.02  -0.22    -0.32  -0.13   0.20    -0.26  -0.18   0.19
     4   6    -0.01  -0.00  -0.00     0.01   0.03  -0.11     0.00   0.05  -0.05
     5   6     0.01   0.00  -0.00    -0.01  -0.03  -0.11     0.00   0.05   0.05
     6   6     0.01   0.08   0.04     0.17   0.07   0.05     0.04  -0.01   0.05
     7   8     0.19   0.20   0.30     0.23   0.09   0.09     0.28   0.09   0.22
     8   8    -0.02  -0.01  -0.09     0.05   0.04  -0.24    -0.03   0.05  -0.14
     9   8     0.02   0.01  -0.09    -0.05  -0.04  -0.24    -0.03   0.05   0.14
    10   8    -0.22   0.02  -0.22     0.32   0.13   0.20    -0.26  -0.18  -0.19
    11   1     0.01   0.04   0.02     0.04   0.15  -0.03    -0.04   0.10  -0.05
    12   1    -0.01  -0.04   0.02    -0.04  -0.15  -0.03    -0.04   0.10   0.05
    13   1    -0.30  -0.03  -0.33     0.21   0.09   0.10    -0.33  -0.18  -0.19
    14   1     0.30   0.03  -0.33    -0.21  -0.09   0.10    -0.33  -0.18   0.19
    15   1     0.12   0.01   0.08     0.10  -0.02  -0.23     0.02   0.06  -0.07
    16   1    -0.12  -0.01   0.08    -0.10   0.02  -0.23     0.02   0.06   0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    235.6803               258.0366               313.1501
 Red. masses --      7.0100                 7.0185                 6.1835
 Frc consts  --      0.2294                 0.2753                 0.3573
 IR Inten    --      1.1777                45.7005                27.4254
 RamAct Fr= 1--      0.6384                 0.0218                 1.1711
  Dep-P Fr= 1--      0.2074                 0.7500                 0.1231
  Dep-U Fr= 1--      0.3436                 0.8571                 0.2192
 Alpha2 Fr= 1--      0.0085                 0.0000                 0.0194
 Beta2  Fr= 1--      0.0366                 0.0031                 0.0428
 AlphaG Fr= 1--     -0.0131                -0.0000                -0.0034
 Gamma2 Fr= 1--     -0.2110                 0.1029                 0.3549
 Delta2 Fr= 1--     -0.1407                -0.0018                 0.2006
 Raman1 Fr= 1--       2.554                  0.087                  4.685
 ROA1   Fr= 1--     -24.759                  9.822                 40.487
 CID1   Fr= 1--      -9.696                112.643                  8.643
 Raman2 Fr= 1--       0.439                  0.037                  0.513
 ROA2   Fr= 1--      -3.939                  2.485                  6.912
 CID2   Fr= 1--      -8.980                 66.501                 13.464
 Raman3 Fr= 1--       0.877                  0.075                  1.027
 ROA3   Fr= 1--     -24.759                  9.822                 40.487
 CID3   Fr= 1--     -28.219                131.417                 39.435
 RC180  Fr= 1--      -0.313                  0.714                 -0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09     0.04   0.02   0.07     0.03  -0.08   0.05
     2   8     0.23   0.04   0.06     0.19   0.03   0.13    -0.04  -0.05  -0.11
     3   8     0.09  -0.08   0.04     0.03  -0.14  -0.08     0.15   0.15   0.19
     4   6     0.02   0.11   0.08    -0.04   0.07   0.08     0.00  -0.09   0.07
     5   6    -0.02  -0.11   0.08    -0.04   0.07  -0.08    -0.00   0.09   0.07
     6   6    -0.11  -0.01   0.09     0.04   0.02  -0.07    -0.03   0.08   0.05
     7   8    -0.23  -0.04   0.06     0.19   0.03  -0.13     0.04   0.05  -0.11
     8   8     0.18   0.14  -0.22    -0.19   0.04   0.26    -0.12  -0.09  -0.18
     9   8    -0.18  -0.14  -0.22    -0.19   0.04  -0.26     0.12   0.09  -0.18
    10   8    -0.09   0.08   0.04     0.03  -0.14   0.08    -0.15  -0.15   0.19
    11   1    -0.09   0.30   0.12     0.06  -0.06   0.07    -0.00  -0.00   0.11
    12   1     0.09  -0.30   0.12     0.06  -0.06  -0.07     0.00   0.00   0.11
    13   1    -0.07   0.04  -0.03    -0.21  -0.12   0.12    -0.36  -0.07   0.37
    14   1     0.07  -0.04  -0.03    -0.21  -0.12  -0.12     0.36   0.07   0.37
    15   1     0.26  -0.08  -0.31    -0.28   0.20   0.30    -0.08  -0.10  -0.15
    16   1    -0.26   0.08  -0.31    -0.28   0.20  -0.30     0.08   0.10  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    316.8206               383.7256               436.0389
 Red. masses --      6.5230                 9.9559                 6.7727
 Frc consts  --      0.3858                 0.8637                 0.7587
 IR Inten    --     17.3903                 0.5802                31.4800
 RamAct Fr= 1--      0.0724                 2.3926                 1.0589
  Dep-P Fr= 1--      0.7500                 0.7270                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8419                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0000
 Beta2  Fr= 1--      0.0103                 0.3357                 0.1513
 AlphaG Fr= 1--      0.0000                -0.0058                -0.0000
 Gamma2 Fr= 1--     -0.0394                -0.1347                 1.3128
 Delta2 Fr= 1--     -0.0283                -0.2160                 0.4897
 Raman1 Fr= 1--       0.289                  9.570                  4.236
 ROA1   Fr= 1--      -4.688                -19.843                141.698
 CID1   Fr= 1--     -16.197                 -2.073                 33.455
 Raman2 Fr= 1--       0.124                  4.029                  1.815
 ROA2   Fr= 1--      -0.719                 -1.505                 27.589
 CID2   Fr= 1--      -5.800                 -0.373                 15.199
 Raman3 Fr= 1--       0.248                  8.058                  3.630
 ROA3   Fr= 1--      -4.688                -19.843                141.698
 CID3   Fr= 1--     -18.897                 -2.463                 39.030
 RC180  Fr= 1--       0.714                  0.684                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05  -0.08     0.05  -0.18  -0.05     0.17   0.02  -0.19
     2   8    -0.02   0.03   0.03    -0.09  -0.18  -0.18    -0.17  -0.11  -0.03
     3   8    -0.16  -0.11  -0.17     0.08  -0.09   0.06    -0.05  -0.07   0.04
     4   6    -0.05   0.01  -0.05     0.07  -0.10   0.02     0.24   0.12  -0.18
     5   6    -0.05   0.01   0.05    -0.07   0.10   0.02     0.24   0.12   0.18
     6   6    -0.06   0.05   0.08    -0.05   0.18  -0.05     0.17   0.02   0.19
     7   8    -0.02   0.03  -0.03     0.09   0.18  -0.18    -0.17  -0.11   0.03
     8   8     0.29   0.04   0.13     0.37  -0.09   0.14    -0.08   0.07   0.09
     9   8     0.29   0.04  -0.13    -0.37   0.09   0.14    -0.08   0.07  -0.09
    10   8    -0.16  -0.11   0.17    -0.08   0.09   0.06    -0.05  -0.07  -0.04
    11   1    -0.18  -0.01  -0.11     0.04  -0.12  -0.01     0.13  -0.07  -0.32
    12   1    -0.18  -0.01   0.11    -0.04   0.12  -0.01     0.13  -0.07   0.32
    13   1    -0.30  -0.04   0.33    -0.15   0.10   0.07     0.03  -0.03   0.06
    14   1    -0.30  -0.04  -0.33     0.15  -0.10   0.07     0.03  -0.03  -0.06
    15   1     0.24  -0.06  -0.01     0.33  -0.16   0.01    -0.16   0.28   0.17
    16   1     0.24  -0.06   0.01    -0.33   0.16   0.01    -0.16   0.28  -0.17
                     10                     11                     12
                      A                      A                      A
 Frequencies --    523.9481               540.3329               588.7258
 Red. masses --      4.9972                 7.8581                 6.2214
 Frc consts  --      0.8083                 1.3517                 1.2705
 IR Inten    --      9.0176                 1.6826                 0.3915
 RamAct Fr= 1--      4.1118                 2.3402                 5.0820
  Dep-P Fr= 1--      0.0850                 0.7500                 0.3321
  Dep-U Fr= 1--      0.1567                 0.8571                 0.4987
 Alpha2 Fr= 1--      0.0747                 0.0000                 0.0472
 Beta2  Fr= 1--      0.1074                 0.3343                 0.4224
 AlphaG Fr= 1--     -0.0280                -0.0000                 0.0752
 Gamma2 Fr= 1--      0.8585                -1.0378                -0.2716
 Delta2 Fr= 1--      0.3986                 0.1560                -0.9045
 Raman1 Fr= 1--      16.447                  9.361                 20.328
 ROA1   Fr= 1--      95.172                -94.637                -55.020
 CID1   Fr= 1--       5.786                -10.110                 -2.707
 Raman2 Fr= 1--       1.289                  4.012                  5.068
 ROA2   Fr= 1--      17.416                -26.155                  0.717
 CID2   Fr= 1--      13.513                 -6.520                  0.141
 Raman3 Fr= 1--       2.578                  8.024                 10.137
 ROA3   Fr= 1--      95.172                -94.637                -55.020
 CID3   Fr= 1--      36.923                -11.795                 -5.428
 RC180  Fr= 1--      -0.687                  0.714                 -0.003
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.05   0.14    -0.08  -0.18   0.13    -0.12   0.05   0.07
     2   8    -0.09   0.05  -0.15    -0.10  -0.08  -0.26     0.08   0.11   0.09
     3   8     0.01  -0.07  -0.12     0.12  -0.10  -0.01    -0.07   0.05  -0.08
     4   6    -0.07   0.02   0.25    -0.03   0.13   0.16    -0.02  -0.16   0.04
     5   6     0.07  -0.02   0.25    -0.03   0.13  -0.16     0.02   0.16   0.04
     6   6     0.12   0.05   0.14    -0.08  -0.18  -0.13     0.12  -0.05   0.07
     7   8     0.09  -0.05  -0.15    -0.10  -0.08   0.26    -0.08  -0.11   0.09
     8   8    -0.03   0.05  -0.02     0.05   0.21   0.07     0.11  -0.28  -0.08
     9   8     0.03  -0.05  -0.02     0.05   0.21  -0.07    -0.11   0.28  -0.08
    10   8    -0.01   0.07  -0.12     0.12  -0.10   0.01     0.07  -0.05  -0.08
    11   1    -0.06   0.20   0.33     0.18   0.28   0.33     0.15  -0.25   0.08
    12   1     0.06  -0.20   0.33     0.18   0.28  -0.33    -0.15   0.25   0.08
    13   1     0.28   0.08  -0.12    -0.00  -0.12  -0.02     0.12  -0.05  -0.07
    14   1    -0.28  -0.08  -0.12    -0.00  -0.12   0.02    -0.12   0.05  -0.07
    15   1    -0.12  -0.10  -0.25     0.09   0.06  -0.01     0.16  -0.40  -0.12
    16   1     0.12   0.10  -0.25     0.09   0.06   0.01    -0.16   0.40  -0.12
                     13                     14                     15
                      A                      A                      A
 Frequencies --    616.0253               674.3790               684.6102
 Red. masses --      3.7552                 1.1527                 1.1051
 Frc consts  --      0.8396                 0.3089                 0.3052
 IR Inten    --      4.0828                 4.1135               182.2890
 RamAct Fr= 1--      1.3515                 1.0700                 0.2539
  Dep-P Fr= 1--      0.7500                 0.6719                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8037                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0015                 0.0000
 Beta2  Fr= 1--      0.1931                 0.1433                 0.0363
 AlphaG Fr= 1--      0.0000                 0.0273                 0.0000
 Gamma2 Fr= 1--      1.1486                -0.6005                -0.1473
 Delta2 Fr= 1--      0.3386                -0.0640                 0.1787
 Raman1 Fr= 1--       5.406                  4.280                  1.016
 ROA1   Fr= 1--     121.102                -59.696                 -8.416
 CID1   Fr= 1--      22.402                -13.948                 -8.287
 Raman2 Fr= 1--       2.317                  1.720                  0.435
 ROA2   Fr= 1--      24.858                -13.899                 -4.964
 CID2   Fr= 1--      10.729                 -8.081                -11.404
 Raman3 Fr= 1--       4.634                  3.440                  0.871
 ROA3   Fr= 1--     121.102                -59.696                 -8.416
 CID3   Fr= 1--      26.136                -17.354                 -9.668
 RC180  Fr= 1--       0.714                  0.607                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.07   0.10     0.00   0.01  -0.00    -0.01   0.01   0.02
     2   8    -0.07   0.12  -0.04    -0.00   0.01  -0.03    -0.01   0.02  -0.00
     3   8    -0.02  -0.07  -0.10    -0.03  -0.03   0.01    -0.02  -0.02   0.00
     4   6     0.19  -0.01   0.08    -0.01  -0.01   0.04     0.01  -0.01   0.02
     5   6     0.19  -0.01  -0.08     0.01   0.01   0.04     0.01  -0.01  -0.02
     6   6    -0.01   0.07  -0.10    -0.00  -0.01  -0.00    -0.01   0.01  -0.02
     7   8    -0.07   0.12   0.04     0.00  -0.01  -0.03    -0.01   0.02   0.00
     8   8    -0.03  -0.10  -0.06    -0.02  -0.00  -0.02    -0.01  -0.01  -0.03
     9   8    -0.03  -0.10   0.06     0.02   0.00  -0.02    -0.01  -0.01   0.03
    10   8    -0.02  -0.07   0.10     0.03   0.03   0.01    -0.02  -0.02  -0.00
    11   1     0.37  -0.01   0.17    -0.05  -0.01   0.02     0.05  -0.03   0.02
    12   1     0.37  -0.01  -0.17     0.04   0.01   0.02     0.05  -0.03  -0.02
    13   1    -0.37  -0.06   0.13    -0.32  -0.13  -0.33     0.30   0.13   0.33
    14   1    -0.37  -0.06  -0.13     0.31   0.13  -0.33     0.31   0.14  -0.34
    15   1    -0.18  -0.03  -0.19     0.29   0.04   0.42     0.29   0.07   0.43
    16   1    -0.18  -0.03   0.19    -0.30  -0.04   0.42     0.28   0.07  -0.43
                     16                     17                     18
                      A                      A                      A
 Frequencies --    731.6679               806.7160               816.6370
 Red. masses --      6.9600                 6.1376                 5.2323
 Frc consts  --      2.1953                 2.3534                 2.0559
 IR Inten    --      0.2850                 5.7443                 1.0486
 RamAct Fr= 1--      3.4211                 2.0211                 7.5071
  Dep-P Fr= 1--      0.0286                 0.7500                 0.0438
  Dep-U Fr= 1--      0.0556                 0.8571                 0.0839
 Alpha2 Fr= 1--      0.0711                 0.0000                 0.1505
 Beta2  Fr= 1--      0.0317                 0.2887                 0.1049
 AlphaG Fr= 1--      0.0128                 0.0000                 0.1176
 Gamma2 Fr= 1--      0.8592                -0.9938                 0.0446
 Delta2 Fr= 1--     -0.0367                -0.6235                -0.1124
 Raman1 Fr= 1--      13.684                  8.085                 30.028
 ROA1   Fr= 1--      81.312               -115.361                  0.689
 CID1   Fr= 1--       5.942                -14.269                  0.023
 Raman2 Fr= 1--       0.380                  3.465                  1.259
 ROA2   Fr= 1--      20.915                -18.864                  1.970
 CID2   Fr= 1--      54.981                 -5.444                  1.565
 Raman3 Fr= 1--       0.761                  6.930                  2.519
 ROA3   Fr= 1--      81.312               -115.361                  0.689
 CID3   Fr= 1--     106.874                -16.648                  0.274
 RC180  Fr= 1--      -0.889                  0.714                 -0.832
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.32   0.20  -0.07     0.22   0.14   0.04    -0.08   0.00   0.24
     2   8    -0.18   0.11   0.02    -0.14   0.12  -0.01    -0.03   0.13  -0.06
     3   8     0.04  -0.15   0.04     0.13  -0.17   0.11     0.14  -0.11   0.04
     4   6     0.07  -0.01   0.08    -0.19  -0.03   0.00     0.09   0.02  -0.23
     5   6    -0.07   0.01   0.08    -0.19  -0.03  -0.00    -0.09  -0.02  -0.23
     6   6    -0.32  -0.20  -0.07     0.22   0.14  -0.04     0.08  -0.00   0.24
     7   8     0.18  -0.11   0.02    -0.14   0.12   0.01     0.03  -0.13  -0.06
     8   8    -0.01  -0.11  -0.05     0.02  -0.02  -0.01    -0.01  -0.02   0.02
     9   8     0.01   0.11  -0.05     0.02  -0.02   0.01     0.01   0.02   0.02
    10   8    -0.04   0.15   0.04     0.13  -0.17  -0.11    -0.14   0.11   0.04
    11   1    -0.20  -0.12  -0.10    -0.43  -0.07  -0.12     0.47  -0.04  -0.07
    12   1     0.20   0.12  -0.10    -0.43  -0.07   0.12    -0.47   0.04  -0.07
    13   1     0.37   0.09  -0.12    -0.17  -0.06   0.15     0.01  -0.01  -0.22
    14   1    -0.37  -0.09  -0.12    -0.17  -0.06  -0.15    -0.01   0.01  -0.22
    15   1    -0.11  -0.08  -0.15     0.08  -0.17  -0.06    -0.05   0.18   0.13
    16   1     0.11   0.08  -0.15     0.08  -0.17   0.06     0.05  -0.18   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    825.3659               832.5993               951.4980
 Red. masses --      1.0668                 1.0520                 5.9019
 Frc consts  --      0.4282                 0.4297                 3.1482
 IR Inten    --      5.9392               145.2044                44.2832
 RamAct Fr= 1--      0.8224                 0.1327                 0.2595
  Dep-P Fr= 1--      0.7500                 0.0759                 0.7500
  Dep-U Fr= 1--      0.8571                 0.1411                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0025                 0.0000
 Beta2  Fr= 1--      0.1175                 0.0031                 0.0371
 AlphaG Fr= 1--     -0.0000                -0.0241                -0.0000
 Gamma2 Fr= 1--      0.3570                 0.1069                 0.4584
 Delta2 Fr= 1--     -0.0394                 0.0273                 0.0423
 Raman1 Fr= 1--       3.289                  0.531                  1.038
 ROA1   Fr= 1--      33.013                 11.139                 45.361
 CID1   Fr= 1--      10.036                 20.989                 43.708
 Raman2 Fr= 1--       1.410                  0.037                  0.445
 ROA2   Fr= 1--       8.883                  2.348                 10.664
 CID2   Fr= 1--       6.301                 62.694                 23.976
 Raman3 Fr= 1--       2.819                  0.075                  0.890
 ROA3   Fr= 1--      33.013                 11.139                 45.361
 CID3   Fr= 1--      11.709                148.727                 50.993
 RC180  Fr= 1--       0.714                 -0.718                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.19  -0.05   0.21
     2   8     0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.01   0.08  -0.03
     3   8    -0.02  -0.01   0.02     0.02   0.01  -0.02     0.10  -0.04   0.02
     4   6     0.00   0.00   0.01     0.00   0.00   0.00     0.04   0.00  -0.33
     5   6     0.00   0.00  -0.01    -0.00  -0.00   0.00     0.04   0.00   0.33
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.19  -0.05  -0.21
     7   8     0.01   0.01   0.01     0.00   0.00  -0.00     0.01   0.08   0.03
     8   8     0.00  -0.00   0.03    -0.00   0.00  -0.03     0.01  -0.02   0.03
     9   8     0.00  -0.00  -0.03     0.00  -0.00  -0.03     0.01  -0.02  -0.03
    10   8    -0.02  -0.01  -0.02    -0.02  -0.01  -0.02     0.10  -0.04  -0.02
    11   1    -0.00   0.02   0.01     0.02   0.00   0.01    -0.18   0.06  -0.40
    12   1    -0.00   0.02  -0.01    -0.02  -0.00   0.01    -0.18   0.06   0.40
    13   1     0.37   0.16   0.34     0.36   0.16   0.33    -0.01  -0.00   0.07
    14   1     0.36   0.15  -0.34    -0.36  -0.16   0.34    -0.01  -0.00  -0.07
    15   1    -0.27  -0.08  -0.38     0.27   0.07   0.39    -0.16   0.24   0.04
    16   1    -0.27  -0.08   0.39    -0.27  -0.07   0.39    -0.16   0.24  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1061.4013              1099.3324              1116.3428
 Red. masses --      3.2926                 7.1915                 2.6612
 Frc consts  --      2.1855                 5.1207                 1.9540
 IR Inten    --     15.4596               148.7553                 1.3768
 RamAct Fr= 1--      2.1386                 0.1318                 3.8559
  Dep-P Fr= 1--      0.6603                 0.7500                 0.5283
  Dep-U Fr= 1--      0.7954                 0.8571                 0.6914
 Alpha2 Fr= 1--      0.0034                 0.0000                 0.0166
 Beta2  Fr= 1--      0.2835                 0.0188                 0.4443
 AlphaG Fr= 1--      0.0181                 0.0000                -0.0062
 Gamma2 Fr= 1--     -0.3147                 0.0879                 0.1153
 Delta2 Fr= 1--      0.2748                 0.1175                 0.9334
 Raman1 Fr= 1--       8.555                  0.527                 15.424
 ROA1   Fr= 1--     -21.417                 12.202                 40.935
 CID1   Fr= 1--      -2.504                 23.149                  2.654
 Raman2 Fr= 1--       3.402                  0.226                  5.332
 ROA2   Fr= 1--      -9.751                  1.170                 -4.700
 CID2   Fr= 1--      -2.866                  5.180                 -0.882
 Raman3 Fr= 1--       6.804                  0.452                 10.664
 ROA3   Fr= 1--     -21.417                 12.202                 40.935
 CID3   Fr= 1--      -3.148                 27.007                  3.839
 RC180  Fr= 1--       0.591                  0.714                  0.383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.02     0.03  -0.03   0.01    -0.02  -0.02   0.03
     2   8     0.02  -0.05  -0.01     0.01  -0.05  -0.02     0.00  -0.01  -0.01
     3   8    -0.07   0.06  -0.05    -0.00   0.04   0.01     0.02   0.01   0.02
     4   6     0.25   0.10   0.06    -0.10   0.39   0.01    -0.09   0.19  -0.04
     5   6    -0.25  -0.10   0.06    -0.10   0.39  -0.01     0.09  -0.19  -0.04
     6   6    -0.05   0.03   0.02     0.03  -0.03  -0.01     0.02   0.02   0.03
     7   8    -0.02   0.05  -0.01     0.01  -0.05   0.02    -0.00   0.01  -0.01
     8   8    -0.01  -0.07  -0.02     0.05  -0.28   0.00     0.02  -0.14   0.01
     9   8     0.01   0.07  -0.02     0.06  -0.29  -0.00    -0.02   0.13   0.01
    10   8     0.07  -0.06  -0.05    -0.00   0.04  -0.01    -0.02  -0.01   0.02
    11   1     0.36   0.27   0.20    -0.04   0.44   0.07    -0.51   0.36  -0.15
    12   1    -0.36  -0.27   0.20    -0.04   0.44  -0.07     0.51  -0.36  -0.15
    13   1     0.02  -0.06  -0.06    -0.07   0.07   0.10     0.02  -0.02  -0.02
    14   1    -0.02   0.06  -0.06    -0.07   0.07  -0.10    -0.02   0.02  -0.02
    15   1    -0.20   0.32   0.08    -0.05   0.07   0.17    -0.07   0.09   0.09
    16   1     0.20  -0.32   0.08    -0.05   0.07  -0.17     0.07  -0.09   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1229.7973              1234.4758              1263.7074
 Red. masses --      2.1232                 1.9832                 1.5577
 Frc consts  --      1.8919                 1.7807                 1.4656
 IR Inten    --     16.9145                 0.5649                 0.0004
 RamAct Fr= 1--      1.1911                18.5118                 2.7457
  Dep-P Fr= 1--      0.7500                 0.2322                 0.7136
  Dep-U Fr= 1--      0.8571                 0.3768                 0.8329
 Alpha2 Fr= 1--      0.0000                 0.2305                 0.0017
 Beta2  Fr= 1--      0.1702                 1.1627                 0.3811
 AlphaG Fr= 1--      0.0000                -0.0151                 0.0085
 Gamma2 Fr= 1--     -1.6887                 6.7096                -0.3539
 Delta2 Fr= 1--     -2.3486                 3.5912                -1.8741
 Raman1 Fr= 1--       4.764                 74.047                 10.983
 ROA1   Fr= 1--    -237.269                759.037                -93.942
 CID1   Fr= 1--     -49.800                 10.251                 -8.554
 Raman2 Fr= 1--       2.042                 13.952                  4.574
 ROA2   Fr= 1--     -21.739                132.300                  6.500
 CID2   Fr= 1--     -10.647                  9.482                  1.421
 Raman3 Fr= 1--       4.084                 27.904                  9.147
 ROA3   Fr= 1--    -237.269                759.037                -93.942
 CID3   Fr= 1--     -58.100                 27.201                -10.270
 RC180  Fr= 1--       0.714                 -0.246                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.03  -0.13     0.11  -0.02   0.09    -0.01  -0.03   0.06
     2   8    -0.01   0.07   0.03     0.01  -0.07  -0.02     0.01   0.01  -0.00
     3   8     0.04  -0.08   0.01    -0.03   0.07   0.01    -0.01   0.02  -0.02
     4   6     0.00   0.02   0.02    -0.07   0.01  -0.03     0.10  -0.09  -0.00
     5   6     0.00   0.02  -0.02     0.07  -0.01  -0.03    -0.10   0.09  -0.00
     6   6    -0.11   0.03   0.13    -0.11   0.02   0.09     0.01   0.03   0.06
     7   8    -0.01   0.07  -0.03    -0.01   0.07  -0.02    -0.01  -0.01  -0.00
     8   8     0.02  -0.02  -0.00    -0.00   0.01  -0.00     0.00   0.03  -0.01
     9   8     0.02  -0.02   0.00     0.00  -0.01  -0.00    -0.00  -0.03  -0.01
    10   8     0.04  -0.08  -0.01     0.03  -0.07   0.01     0.01  -0.02  -0.02
    11   1     0.09   0.13   0.11     0.14  -0.15  -0.00    -0.58  -0.04  -0.29
    12   1     0.09   0.13  -0.11    -0.14   0.15  -0.00     0.58   0.04  -0.29
    13   1     0.44  -0.23  -0.38     0.44  -0.23  -0.39     0.11  -0.04  -0.07
    14   1     0.44  -0.23   0.38    -0.44   0.23  -0.39    -0.11   0.04  -0.07
    15   1    -0.07   0.13   0.02     0.07  -0.09   0.00    -0.07   0.15   0.03
    16   1    -0.07   0.13  -0.02    -0.07   0.09   0.00     0.07  -0.15   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1276.7484              1331.8815              1350.0539
 Red. masses --      1.1639                 1.4539                 1.3906
 Frc consts  --      1.1178                 1.5196                 1.4933
 IR Inten    --     35.6060                 0.0000               272.4235
 RamAct Fr= 1--      2.1584                 4.5135                 0.0787
  Dep-P Fr= 1--      0.7500                 0.7469                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8551                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.3083                 0.6433                 0.0112
 AlphaG Fr= 1--     -0.0000                 0.0040                 0.0000
 Gamma2 Fr= 1--      1.4438                 0.3009                -0.3268
 Delta2 Fr= 1--      1.0545                 0.7473                -0.0906
 Raman1 Fr= 1--       8.633                 18.054                  0.315
 ROA1   Fr= 1--     172.352                 52.798                -34.273
 CID1   Fr= 1--      19.963                  2.924               -108.822
 Raman2 Fr= 1--       3.700                  7.719                  0.135
 ROA2   Fr= 1--      26.217                  1.243                 -7.119
 CID2   Fr= 1--       7.085                  0.161                -52.743
 Raman3 Fr= 1--       7.400                 15.439                  0.270
 ROA3   Fr= 1--     172.352                 52.798                -34.273
 CID3   Fr= 1--      23.290                  3.420               -126.959
 RC180  Fr= 1--       0.714                  0.710                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.01     0.03  -0.00  -0.01    -0.03   0.02  -0.06
     2   8    -0.00  -0.01  -0.00    -0.00   0.01   0.01     0.01  -0.01   0.01
     3   8    -0.01   0.01  -0.01    -0.00   0.00   0.00     0.04  -0.00   0.04
     4   6     0.03  -0.07   0.02    -0.06  -0.12  -0.04    -0.05  -0.04  -0.05
     5   6     0.03  -0.07  -0.02     0.06   0.12  -0.04    -0.05  -0.04   0.05
     6   6     0.02   0.01  -0.01    -0.03   0.00  -0.01    -0.03   0.02   0.06
     7   8    -0.00  -0.01   0.00     0.00  -0.01   0.01     0.01  -0.01  -0.01
     8   8     0.01  -0.01   0.00     0.02  -0.00   0.00     0.01   0.00   0.00
     9   8     0.01  -0.01  -0.00    -0.02   0.00   0.00     0.01   0.00  -0.00
    10   8    -0.01   0.01   0.01     0.00  -0.00   0.00     0.04  -0.00  -0.04
    11   1    -0.33   0.51   0.12     0.00   0.55   0.29     0.45   0.18   0.28
    12   1    -0.33   0.51  -0.12    -0.00  -0.55   0.29     0.45   0.18  -0.28
    13   1    -0.03   0.02   0.02     0.06  -0.03  -0.06    -0.28   0.13   0.25
    14   1    -0.03   0.02  -0.02    -0.06   0.03  -0.06    -0.28   0.13  -0.25
    15   1    -0.14   0.29   0.08    -0.13   0.26   0.07    -0.04   0.08   0.02
    16   1    -0.14   0.29  -0.08     0.13  -0.26   0.07    -0.04   0.08  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1395.0249              1400.8768              1464.7035
 Red. masses --      1.9049                 2.2973                 1.2431
 Frc consts  --      2.1841                 2.6562                 1.5713
 IR Inten    --    575.6193               231.6057                63.2067
 RamAct Fr= 1--      0.2091                 1.5632                 4.1421
  Dep-P Fr= 1--      0.7500                 0.5239                 0.7499
  Dep-U Fr= 1--      0.8571                 0.6876                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0069                 0.0000
 Beta2  Fr= 1--      0.0299                 0.1791                 0.5917
 AlphaG Fr= 1--      0.0000                 0.0211                -0.0000
 Gamma2 Fr= 1--      0.3280                -1.6295                -2.7779
 Delta2 Fr= 1--      0.0918                -0.3228                -0.9823
 Raman1 Fr= 1--       0.837                  6.253                 16.569
 ROA1   Fr= 1--      34.423               -166.757               -298.113
 CID1   Fr= 1--      41.151                -26.669                -17.993
 Raman2 Fr= 1--       0.359                  2.150                  7.100
 ROA2   Fr= 1--       7.137                -36.524                -58.812
 CID2   Fr= 1--      19.907                -16.990                 -8.283
 Raman3 Fr= 1--       0.717                  4.299                 14.201
 ROA3   Fr= 1--      34.423               -166.757               -298.113
 CID3   Fr= 1--      48.009                -38.785                -20.993
 RC180  Fr= 1--       0.714                  0.375                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07    -0.13   0.04  -0.12     0.04   0.00   0.04
     2   8    -0.02   0.03  -0.00     0.02  -0.03   0.01    -0.01  -0.01  -0.01
     3   8    -0.06   0.01  -0.05     0.08  -0.01   0.08    -0.02   0.01  -0.02
     4   6    -0.05  -0.02  -0.09     0.07   0.00   0.03    -0.06  -0.01   0.01
     5   6    -0.05  -0.02   0.09    -0.07  -0.00   0.03    -0.06  -0.01  -0.01
     6   6     0.11  -0.02  -0.07     0.13  -0.04  -0.12     0.04   0.00  -0.03
     7   8    -0.02   0.03   0.00    -0.02   0.03   0.01    -0.01  -0.01   0.01
     8   8    -0.01   0.00   0.02    -0.02  -0.00   0.01     0.04  -0.00  -0.03
     9   8    -0.01   0.00  -0.02     0.02   0.00   0.00     0.04  -0.00   0.03
    10   8    -0.06   0.01   0.05    -0.08   0.01   0.08    -0.02   0.01   0.02
    11   1     0.33   0.28   0.22    -0.02   0.13   0.04     0.16  -0.30  -0.01
    12   1     0.33   0.28  -0.22     0.02  -0.13   0.04     0.17  -0.31   0.01
    13   1     0.30  -0.13  -0.27     0.45  -0.20  -0.40     0.08  -0.03  -0.06
    14   1     0.30  -0.13   0.27    -0.45   0.20  -0.40     0.08  -0.03   0.06
    15   1     0.11  -0.20  -0.01     0.05  -0.14  -0.03    -0.26   0.53   0.05
    16   1     0.11  -0.20   0.01    -0.05   0.14  -0.03    -0.27   0.54  -0.05
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1467.7897              1796.1372              1806.3201
 Red. masses --      1.2471                 8.9196                 8.8299
 Frc consts  --      1.5830                16.9542                16.9744
 IR Inten    --      0.1891                29.7083               422.7918
 RamAct Fr= 1--      4.0248                23.7312                 2.3253
  Dep-P Fr= 1--      0.3881                 0.1076                 0.7500
  Dep-U Fr= 1--      0.5592                 0.1943                 0.8571
 Alpha2 Fr= 1--      0.0311                 0.4078                 0.0000
 Beta2  Fr= 1--      0.3751                 0.7685                 0.3322
 AlphaG Fr= 1--     -0.0200                -0.3511                -0.0000
 Gamma2 Fr= 1--     -0.9778                -4.4950                 2.7585
 Delta2 Fr= 1--      0.4277                -2.6234                 3.1157
 Raman1 Fr= 1--      16.099                 94.925                  9.301
 ROA1   Fr= 1--     -80.181               -515.472                364.521
 CID1   Fr= 1--      -4.980                 -5.430                 39.191
 Raman2 Fr= 1--       4.501                  9.222                  3.986
 ROA2   Fr= 1--     -26.888                -86.893                 41.280
 CID2   Fr= 1--      -5.974                 -9.423                 10.356
 Raman3 Fr= 1--       9.002                 18.444                  7.972
 ROA3   Fr= 1--     -80.181               -515.472                364.521
 CID3   Fr= 1--      -8.907                -27.948                 45.723
 RC180  Fr= 1--       0.118                 -0.611                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.03     0.09  -0.46  -0.14    -0.10   0.46   0.13
     2   8     0.01   0.01   0.01    -0.05   0.27   0.09     0.05  -0.27  -0.09
     3   8     0.02  -0.00   0.02     0.00   0.04   0.02     0.00  -0.05  -0.02
     4   6    -0.05   0.01   0.04     0.00   0.05   0.01    -0.00  -0.00  -0.03
     5   6     0.05  -0.01   0.04    -0.00  -0.05   0.01    -0.00  -0.00   0.03
     6   6     0.03   0.00  -0.03    -0.09   0.46  -0.14    -0.10   0.46  -0.13
     7   8    -0.01  -0.01   0.01     0.05  -0.27   0.09     0.05  -0.27   0.09
     8   8     0.04  -0.01  -0.03    -0.00   0.01   0.00    -0.00  -0.01   0.00
     9   8    -0.04   0.01  -0.03     0.00  -0.01   0.00    -0.00  -0.01  -0.00
    10   8    -0.02   0.00   0.02    -0.00  -0.04   0.02     0.00  -0.05   0.02
    11   1     0.08  -0.34  -0.05     0.06  -0.05  -0.02     0.07   0.04   0.02
    12   1    -0.08   0.34  -0.05    -0.06   0.05  -0.02     0.07   0.04  -0.02
    13   1     0.06  -0.03  -0.06     0.24  -0.09  -0.24     0.27  -0.10  -0.23
    14   1    -0.06   0.02  -0.06    -0.24   0.09  -0.24     0.27  -0.10   0.23
    15   1    -0.26   0.54   0.07     0.05  -0.21   0.01     0.03  -0.18  -0.02
    16   1     0.26  -0.53   0.06    -0.05   0.21   0.01     0.03  -0.18   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3048.6905              3056.0142              3493.6054
 Red. masses --      1.0833                 1.0845                 1.0667
 Frc consts  --      5.9325                 5.9677                 7.6709
 IR Inten    --     17.9182                 2.3303                95.0628
 RamAct Fr= 1--     50.4841               168.1166               115.6495
  Dep-P Fr= 1--      0.7500                 0.0989                 0.0421
  Dep-U Fr= 1--      0.8571                 0.1799                 0.0809
 Alpha2 Fr= 1--      0.0000                 2.9516                 2.3275
 Beta2  Fr= 1--      7.2120                 5.0420                 1.5591
 AlphaG Fr= 1--     -0.0000                -0.5235                 1.2637
 Gamma2 Fr= 1--      2.8950                -9.4433                47.0141
 Delta2 Fr= 1--      7.4015                -6.4684                11.6501
 Raman1 Fr= 1--     201.936                672.466                462.598
 ROA1   Fr= 1--     514.771              -1113.547               4886.159
 CID1   Fr= 1--       2.549                 -1.656                 10.562
 Raman2 Fr= 1--      86.544                 60.504                 18.709
 ROA2   Fr= 1--      10.269               -174.892               1035.138
 CID2   Fr= 1--       0.119                 -2.891                 55.328
 Raman3 Fr= 1--     173.088                121.009                 37.418
 ROA3   Fr= 1--     514.771              -1113.547               4886.159
 CID3   Fr= 1--       2.974                 -9.202                130.583
 RC180  Fr= 1--       0.714                 -0.640                 -0.838
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     2   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
     4   6     0.02   0.02  -0.05     0.02   0.02  -0.05    -0.00  -0.00   0.00
     5   6     0.02   0.02   0.05    -0.02  -0.02  -0.05     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03  -0.02   0.02
     9   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03   0.02   0.02
    10   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    11   1    -0.27  -0.27   0.59    -0.27  -0.27   0.59     0.01   0.01  -0.01
    12   1    -0.27  -0.27  -0.59     0.27   0.27   0.59    -0.01  -0.01  -0.01
    13   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.13   0.05
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.13   0.05
    15   1     0.02   0.00  -0.01     0.01   0.00  -0.02     0.48   0.34  -0.37
    16   1     0.02   0.00   0.01    -0.01  -0.01  -0.02    -0.47  -0.33  -0.37
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3503.5680              3578.6925              3580.9456
 Red. masses --      1.0673                 1.0641                 1.0642
 Frc consts  --      7.7190                 8.0292                 8.0404
 IR Inten    --    494.0138               228.0157                86.2749
 RamAct Fr= 1--     14.1006                 8.8623                60.4937
  Dep-P Fr= 1--      0.7495                 0.7498                 0.0893
  Dep-U Fr= 1--      0.8568                 0.8570                 0.1640
 Alpha2 Fr= 1--      0.0001                 0.0000                 1.0871
 Beta2  Fr= 1--      2.0135                 1.2659                 1.6534
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0826
 Gamma2 Fr= 1--    -35.5425                 4.9502                 0.0265
 Delta2 Fr= 1--     -6.9780                 2.0837                -4.7945
 Raman1 Fr= 1--      56.402                 35.449                241.975
 ROA1   Fr= 1--   -3635.379                541.896               -150.884
 CID1   Fr= 1--     -64.455                 15.287                 -0.624
 Raman2 Fr= 1--      24.162                 15.191                 19.841
 ROA2   Fr= 1--    -797.197                102.134                 38.991
 CID2   Fr= 1--     -32.993                  6.724                  1.965
 Raman3 Fr= 1--      48.325                 30.381                 39.682
 ROA3   Fr= 1--   -3635.379                541.896               -150.884
 CID3   Fr= 1--     -75.228                 17.837                 -3.802
 RC180  Fr= 1--       0.714                  0.714                 -0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   8     0.00  -0.00  -0.00    -0.00  -0.04  -0.02     0.00   0.04   0.02
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   8    -0.03  -0.02   0.02     0.00   0.00  -0.00    -0.01  -0.00   0.00
     9   8    -0.03  -0.02  -0.02     0.00   0.00   0.00     0.01   0.00   0.00
    10   8     0.00  -0.00   0.00    -0.00  -0.04   0.02    -0.00  -0.04   0.02
    11   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1     0.01   0.01   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00   0.05  -0.02    -0.01   0.64  -0.28    -0.01   0.64  -0.28
    14   1    -0.00   0.05   0.02    -0.01   0.65   0.28     0.01  -0.63  -0.28
    15   1     0.49   0.33  -0.37    -0.04  -0.03   0.03     0.10   0.07  -0.08
    16   1     0.49   0.34   0.38    -0.04  -0.02  -0.03    -0.10  -0.07  -0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   987.111891545.354791868.90457
           X            0.99932  -0.03687  -0.00000
           Y            0.03687   0.99932  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.08774     0.05605     0.04634
 Rotational constants (GHZ):           1.82830     1.16785     0.96567
 Zero-point vibrational energy     307027.7 (Joules/Mol)
                                   73.38139 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     86.54   115.52   141.76   339.09   371.26
          (Kelvin)            450.55   455.83   552.10   627.36   753.84
                              777.42   847.05   886.32   970.28   985.00
                             1052.71  1160.68  1174.96  1187.52  1197.92
                             1368.99  1527.12  1581.69  1606.17  1769.40
                             1776.14  1818.19  1836.96  1916.28  1942.43
                             2007.13  2015.55  2107.38  2111.82  2584.24
                             2598.89  4386.39  4396.92  5026.52  5040.85
                             5148.94  5152.18
 
 Zero-point correction=                           0.116941 (Hartree/Particle)
 Thermal correction to Energy=                    0.126064
 Thermal correction to Enthalpy=                  0.127008
 Thermal correction to Gibbs Free Energy=         0.082088
 Sum of electronic and zero-point Energies=           -607.578178
 Sum of electronic and thermal Energies=              -607.569055
 Sum of electronic and thermal Enthalpies=            -607.568111
 Sum of electronic and thermal Free Energies=         -607.613031
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   79.106             33.643             94.542
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.435
 Vibrational             77.329             27.681             24.180
 Vibration     1          0.597              1.973              4.452
 Vibration     2          0.600              1.963              3.884
 Vibration     3          0.604              1.950              3.483
 Vibration     4          0.655              1.786              1.835
 Vibration     5          0.667              1.749              1.675
 Vibration     6          0.701              1.649              1.346
 Vibration     7          0.704              1.641              1.326
 Vibration     8          0.753              1.505              1.024
 Vibration     9          0.796              1.392              0.839
 Vibration    10          0.879              1.197              0.601
 Vibration    11          0.895              1.161              0.565
 Vibration    12          0.946              1.056              0.469
 Vibration    13          0.976              0.998              0.423
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.174628D-37        -37.757887        -86.940748
 Total V=0       0.107411D+17         16.031048         36.912853
 Vib (Bot)       0.400050D-51        -51.397886       -118.348005
 Vib (Bot)    1  0.343317D+01          0.535695          1.233483
 Vib (Bot)    2  0.256496D+01          0.409081          0.941944
 Vib (Bot)    3  0.208355D+01          0.318804          0.734072
 Vib (Bot)    4  0.833602D+00         -0.079041         -0.181999
 Vib (Bot)    5  0.753453D+00         -0.122944         -0.283089
 Vib (Bot)    6  0.602732D+00         -0.219875         -0.506282
 Vib (Bot)    7  0.594463D+00         -0.225875         -0.520097
 Vib (Bot)    8  0.469953D+00         -0.327946         -0.755123
 Vib (Bot)    9  0.397704D+00         -0.400440         -0.922046
 Vib (Bot)   10  0.306955D+00         -0.512925         -1.181054
 Vib (Bot)   11  0.293124D+00         -0.532948         -1.227158
 Vib (Bot)   12  0.256568D+00         -0.590798         -1.360362
 Vib (Bot)   13  0.238389D+00         -0.622714         -1.433853
 Vib (V=0)       0.246065D+03          2.391050          5.505596
 Vib (V=0)    1  0.396938D+01          0.598723          1.378611
 Vib (V=0)    2  0.311324D+01          0.493213          1.135665
 Vib (V=0)    3  0.264270D+01          0.422048          0.971802
 Vib (V=0)    4  0.147206D+01          0.167924          0.386660
 Vib (V=0)    5  0.140426D+01          0.147448          0.339512
 Vib (V=0)    6  0.128313D+01          0.108269          0.249299
 Vib (V=0)    7  0.127678D+01          0.106116          0.244341
 Vib (V=0)    8  0.118619D+01          0.074154          0.170746
 Vib (V=0)    9  0.113888D+01          0.056478          0.130046
 Vib (V=0)   10  0.108670D+01          0.036111          0.083149
 Vib (V=0)   11  0.107959D+01          0.033258          0.076579
 Vib (V=0)   12  0.106198D+01          0.026118          0.060140
 Vib (V=0)   13  0.105392D+01          0.022808          0.052518
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.604417D+06          5.781336         13.312019
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     33 33             33                                           11          1111111111   111                                     
     55 54             00                                           87          4443332222   100   9 8888  766 6555  4 333 22        
     87 09             54                                           09          6609537633   196   5 3210  387 1842  3 811 53   986  
     19 44             69                                           66          8515027440   691   1 3577  254 6904  6 473 86   900  
 
     XX XX             XX                                           XX          XXXXX X XX   XXX   X XXXX  XXX XXXX  X XXX XX   XXX  
     XX XX                                                          X            XXXX         X    X X      X              X         
     XX XX                                                          X             XXX         X      X      X                        
      X X                                                           X             XXX         X      X      X                        
      X X                                                           X             XXX         X      X      X                        
      X X                                                           X             XXX                       X                        
      X X                                                           X             XXX                                                
      X X                                                           X             XXX                                                
        X                                                           X              XX                                                
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                                          X                                                 
        X                                                                          X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000011927    0.000008036   -0.000000449
      2        8           0.000000843   -0.000010721    0.000004190
      3        8          -0.000000785   -0.000000837    0.000001173
      4        6          -0.000003677   -0.000003648   -0.000004793
      5        6          -0.000006845   -0.000016616    0.000005352
      6        6           0.000004306    0.000000083   -0.000001205
      7        8          -0.000005931    0.000008061   -0.000000754
      8        8           0.000003501    0.000000616    0.000003380
      9        8          -0.000004346    0.000000887    0.000006984
     10        8           0.000000503    0.000000039   -0.000002243
     11        1          -0.000001790   -0.000003411   -0.000002441
     12        1           0.000004758    0.000007190   -0.000004825
     13        1           0.000000702    0.000002931    0.000000283
     14        1          -0.000002836   -0.000002321   -0.000001089
     15        1          -0.000001578    0.000004136    0.000000919
     16        1           0.000001250    0.000005574   -0.000004482
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016616 RMS     0.000004954
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.753679D+02 -0.606797D+01 -0.241550D-03
      2  -0.606797D+01  0.790191D+02  0.193500D-03
      3  -0.241550D-03  0.193500D-03  0.637881D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.930631D+01  0.538846D+01  0.160404D-03
      2  -0.280878D+02 -0.101459D+02 -0.741870D-03
      3   0.310703D-03  0.641288D-05  0.132813D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.455066D-02  0.197987D-02 -0.436321D+02
      2   0.264922D-02 -0.752334D-03 -0.841375D+00
      3   0.190143D-02 -0.122754D-02  0.444735D+02
      4   0.184104D-03  0.143394D-02 -0.144319D+02
      5  -0.199935D+02 -0.426859D+01  0.384347D-03
      6  -0.120369D+01  0.231769D+01 -0.192721D-02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.331770D-01 -0.148382D+01  0.214372D+00  0.118717D+01 -0.959110D+00
      2  -0.148382D+01 -0.969982D+00 -0.107485D+01 -0.959110D+00  0.534936D+01
      3   0.214372D+00 -0.107485D+01 -0.107271D+01 -0.291013D-01  0.128875D+01
                 6             7             8             9            10 
      1  -0.291013D-01  0.158122D+01 -0.179321D+01 -0.162804D+00  0.162802D+01
      2   0.128875D+01 -0.179321D+01  0.136950D+01 -0.888123D+00 -0.238834D+01
      3   0.460698D+00 -0.162804D+00 -0.888123D+00 -0.287140D+00 -0.535529D+00
                11            12            13            14            15 
      1  -0.238834D+01 -0.535529D+00 -0.449057D+01  0.157272D+00 -0.118876D+01
      2  -0.237492D+00  0.216510D-01  0.157272D+00 -0.112950D+02 -0.209979D+01
      3   0.216510D-01  0.877175D+00 -0.118876D+01 -0.209979D+01 -0.305770D+01
                16            17            18            19            20 
      1  -0.118048D+01  0.312999D+00 -0.681735D-01 -0.588047D+01  0.154103D+01
      2   0.312999D+00 -0.270565D+01 -0.284496D+01  0.154103D+01 -0.739712D+00
      3  -0.681735D-01 -0.284496D+01 -0.250520D+01 -0.193533D+01  0.519753D+00
                21            22            23            24            25 
      1  -0.193533D+01 -0.717090D+00 -0.105666D+01 -0.434505D+00 -0.319745D+01
      2   0.519753D+00 -0.105666D+01 -0.195146D+01 -0.219033D+01  0.865006D+00
      3  -0.107333D+01 -0.434505D+00 -0.219033D+01 -0.603866D+00 -0.303147D+01
                26            27            28            29            30 
      1   0.865006D+00 -0.303147D+01 -0.460989D+01  0.176697D+01 -0.692073D-01
      2  -0.229628D+01  0.953153D+00  0.176697D+01  0.128995D+01  0.815146D-01
      3   0.953153D+00 -0.354710D+01 -0.692073D-01  0.815146D-01  0.241268D+01
                31            32            33            34            35 
      1   0.267379D+01  0.225325D+01 -0.746217D+00 -0.569737D+00  0.194981D+00
      2   0.225325D+01 -0.284413D+01 -0.944694D+00  0.194981D+00 -0.475846D+00
      3  -0.746217D+00 -0.944694D+00  0.361753D+01  0.242453D+01  0.223329D+01
                36            37            38            39            40 
      1   0.242453D+01  0.461050D+01 -0.176655D+01 -0.700446D-01 -0.267301D+01
      2   0.223329D+01 -0.176655D+01 -0.129000D+01  0.813125D-01 -0.225313D+01
      3  -0.255585D+01 -0.700446D-01  0.813125D-01 -0.241226D+01 -0.746241D+00
                41            42            43            44            45 
      1  -0.225313D+01 -0.746241D+00 -0.570364D+00  0.194642D+00 -0.242381D+01
      2   0.284472D+01 -0.945196D+00  0.194642D+00 -0.476403D+00 -0.223283D+01
      3  -0.945196D+00 -0.361701D+01 -0.242381D+01 -0.223283D+01 -0.255637D+01
                46            47            48            49            50 
      1   0.323445D-01  0.148357D+01  0.214722D+00 -0.118804D+01  0.958514D+00
      2   0.148357D+01  0.969265D+00 -0.107455D+01  0.958514D+00 -0.535004D+01
      3   0.214722D+00 -0.107455D+01  0.107203D+01 -0.287691D-01  0.128902D+01
                51            52            53            54            55 
      1  -0.287691D-01  0.158143D+01 -0.179279D+01  0.162233D+00 -0.162754D+01
      2   0.128902D+01 -0.179279D+01  0.136922D+01  0.887906D+00  0.238844D+01
      3  -0.460933D+00  0.162233D+00  0.887906D+00 -0.287002D+00 -0.535460D+00
                56            57            58            59            60 
      1   0.238844D+01 -0.535460D+00  0.449104D+01 -0.156799D+00 -0.118894D+01
      2   0.238039D+00  0.215434D-01 -0.156799D+00  0.112954D+02 -0.209977D+01
      3   0.215434D-01 -0.876924D+00 -0.118894D+01 -0.209977D+01  0.305787D+01
                61            62            63            64            65 
      1  -0.118023D+01  0.312949D+00  0.683372D-01 -0.431638D+01  0.148851D+01
      2   0.312949D+00 -0.270519D+01  0.284486D+01  0.148851D+01 -0.211920D+01
      3   0.683372D-01  0.284486D+01 -0.250484D+01  0.176732D+01 -0.247222D+00
                66            67            68            69            70 
      1   0.176732D+01 -0.733774D+00 -0.241233D+01  0.107503D+01  0.299672D+01
      2  -0.247222D+00 -0.241233D+01  0.618649D+01  0.204394D+01 -0.921296D-01
      3  -0.194573D+01  0.107503D+01  0.204394D+01 -0.161379D+00 -0.193088D+01
                71            72            73            74            75 
      1  -0.921296D-01 -0.193088D+01  0.431649D+01 -0.148837D+01  0.176731D+01
      2   0.204809D+01  0.158215D+01 -0.148837D+01  0.212010D+01 -0.247394D+00
      3   0.158215D+01  0.256632D+01  0.176731D+01 -0.247394D+00  0.194571D+01
                76            77            78            79            80 
      1   0.733920D+00  0.241274D+01  0.107491D+01  0.299587D+01 -0.920563D-01
      2   0.241274D+01 -0.618579D+01  0.204409D+01 -0.920563D-01  0.204824D+01
      3   0.107491D+01  0.204409D+01  0.161314D+00  0.193040D+01 -0.158221D+01
                81            82            83            84            85 
      1   0.193040D+01  0.588010D+01 -0.154104D+01 -0.193538D+01  0.716878D+00
      2  -0.158221D+01 -0.154104D+01  0.739759D+00  0.519688D+00  0.105653D+01
      3   0.256590D+01 -0.193538D+01  0.519688D+00  0.107347D+01 -0.434414D+00
                86            87            88            89            90 
      1   0.105653D+01 -0.434414D+00 -0.319728D+01  0.864987D+00  0.303144D+01
      2   0.195162D+01 -0.219033D+01  0.864987D+00 -0.229624D+01 -0.953221D+00
      3  -0.219033D+01  0.603805D+00  0.303144D+01 -0.953221D+00 -0.354740D+01
                91            92            93            94            95 
      1  -0.142877D+01 -0.884230D+00  0.199371D+01 -0.152008D+01 -0.107636D+01
      2  -0.884230D+00 -0.867125D+00  0.337561D+00 -0.107636D+01 -0.114953D+01
      3   0.199371D+01  0.337561D+00 -0.250629D+01  0.697089D+00  0.165658D+01
                96            97            98            99           100 
      1   0.697089D+00  0.236297D+01  0.541091D+00 -0.251087D+01  0.142853D+01
      2   0.165658D+01  0.541091D+00  0.169480D+01 -0.155168D+01  0.884214D+00
      3  -0.249583D+01 -0.251087D+01 -0.155168D+01  0.687448D+01  0.199372D+01
               101           102           103           104           105 
      1   0.884214D+00  0.199372D+01  0.151997D+01  0.107636D+01  0.697072D+00
      2   0.867130D+00  0.337574D+00  0.107636D+01  0.114953D+01  0.165656D+01
      3   0.337574D+00  0.250612D+01  0.697072D+00  0.165656D+01  0.249574D+01
               106           107           108           109           110 
      1   0.236300D+01  0.541127D+00  0.251067D+01  0.112787D+01 -0.978097D+00
      2   0.541127D+00  0.169495D+01  0.155168D+01 -0.978097D+00  0.792936D+00
      3   0.251067D+01  0.155168D+01  0.687439D+01  0.355353D+00  0.143544D+00
               111           112           113           114           115 
      1   0.355353D+00 -0.298467D+01  0.139539D+01  0.118853D+01  0.128471D+01
      2   0.143544D+00  0.139539D+01 -0.476898D+01  0.422126D+00 -0.239290D-02
      3   0.499982D-01  0.118853D+01  0.422126D+00 -0.195047D+01 -0.366952D+00
               116           117           118           119           120 
      1  -0.239290D-02 -0.366952D+00 -0.112780D+01  0.978085D+00  0.355474D+00
      2   0.107509D+01 -0.960860D+00  0.978085D+00 -0.792943D+00  0.143504D+00
      3  -0.960860D+00  0.506780D+00  0.355474D+00  0.143504D+00 -0.500137D-01
               121           122           123           124           125 
      1   0.298490D+01 -0.139532D+01  0.118851D+01  0.128495D+01 -0.238695D-02
      2  -0.139532D+01  0.476872D+01  0.422248D+00 -0.238695D-02  0.107516D+01
      3   0.118851D+01  0.422248D+00  0.195036D+01  0.366925D+00  0.960867D+00
               126           127           128           129           130 
      1   0.366925D+00  0.385812D+01  0.440618D+00 -0.179064D+01  0.189695D+01
      2   0.960867D+00  0.440618D+00  0.107086D+01  0.218163D+00  0.296495D+00
      3   0.506797D+00 -0.179064D+01  0.218163D+00  0.156312D+01 -0.562087D+00
               131           132           133           134           135 
      1   0.296495D+00 -0.562087D+00 -0.327819D+01 -0.263606D-01  0.120209D+01
      2   0.278597D+01 -0.176649D+00 -0.263606D-01 -0.709807D+00  0.486366D+00
      3  -0.176649D+00  0.126799D+01  0.120209D+01  0.486366D+00 -0.105223D+01
               136           137           138           139           140 
      1  -0.385795D+01 -0.440994D+00 -0.179039D+01 -0.189738D+01 -0.296847D+00
      2  -0.440994D+00 -0.107159D+01  0.218205D+00 -0.296847D+00 -0.278686D+01
      3  -0.179039D+01  0.218205D+00 -0.156304D+01 -0.562119D+00 -0.176560D+00
               141           142           143           144 
      1  -0.562119D+00 -0.327714D+01 -0.264529D-01 -0.120165D+01
      2  -0.176560D+00 -0.264529D-01 -0.709650D+00 -0.486378D+00
      3  -0.126813D+01 -0.120165D+01 -0.486378D+00 -0.105153D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.201503D+01 -0.344343D+01 -0.260866D+01 -0.418078D+01 -0.488561D+01
      2   0.109232D+02  0.600683D+01  0.672000D+01  0.694017D+01 -0.104071D+01
      3   0.286821D+01 -0.498051D+01 -0.307024D+01 -0.531481D+01  0.456451D+01
                 6             7             8             9            10 
      1   0.258799D+01  0.108550D+01  0.396724D+01  0.389591D+01  0.217757D+01
      2   0.240003D+01 -0.538386D+01  0.295221D+00 -0.992040D+01 -0.108502D+01
      3   0.324662D+01 -0.874266D+01  0.576334D+01 -0.306771D+01 -0.626755D+01
                11            12            13            14            15 
      1   0.618740D+00  0.901955D+00 -0.217164D+01  0.421909D+01 -0.100500D+02
      2  -0.215315D+01  0.120823D+00 -0.140828D+01  0.358774D+01  0.314801D+01
      3  -0.136305D+01  0.410976D+00  0.138513D+02 -0.170014D+02 -0.796585D+00
                16            17            18            19            20 
      1  -0.208197D+01  0.220323D+01 -0.446418D+01 -0.140741D+00  0.221454D+01
      2  -0.402651D+01  0.539526D+01  0.593752D+01 -0.152011D+01 -0.151002D+01
      3   0.502587D+01 -0.433530D+01 -0.393826D+01  0.112963D+01 -0.668900D+01
                21            22            23            24            25 
      1   0.205293D+01  0.216269D+01  0.523439D+01  0.147073D+01 -0.761813D+00
      2   0.484465D+01 -0.134131D+01  0.510077D+01  0.777235D+00  0.352472D+01
      3   0.410720D+00 -0.175069D+01 -0.821597D+01 -0.741500D+01 -0.115718D+00
                26            27            28            29            30 
      1   0.682586D+01  0.137131D+01  0.175785D+01  0.143430D+01 -0.310478D+00
      2   0.110716D+01  0.114452D+02  0.108703D+02 -0.527828D+00  0.129395D+01
      3  -0.955526D+01  0.113149D+01  0.103084D+01 -0.155964D+01 -0.266027D+00
                31            32            33            34            35 
      1   0.382425D+01 -0.376194D+01 -0.122087D+01  0.651760D+00  0.333887D+01
      2  -0.559858D+01 -0.179942D+01  0.111186D+01 -0.608259D+01 -0.458749D+00
      3   0.339807D+01 -0.177798D+01 -0.212147D+01 -0.298633D+00 -0.127815D+01
                36            37            38            39            40 
      1   0.255513D+01 -0.175711D+01 -0.143433D+01 -0.310601D+00 -0.382387D+01
      2   0.169830D+01 -0.108720D+02  0.526762D+00  0.129605D+01  0.559675D+01
      3   0.104762D+01  0.102983D+01 -0.155950D+01  0.266118D+00  0.339843D+01
                41            42            43            44            45 
      1   0.376350D+01 -0.122132D+01  0.651010D+00  0.333818D+01 -0.255422D+01
      2   0.179836D+01  0.111277D+01 -0.608056D+01 -0.457245D+00 -0.170075D+01
      3  -0.177917D+01  0.212194D+01  0.299233D+00  0.127863D+01  0.104665D+01
                46            47            48            49            50 
      1   0.201409D+01  0.344301D+01 -0.260693D+01  0.418016D+01  0.488414D+01
      2  -0.109220D+02 -0.600506D+01  0.671880D+01 -0.693713D+01  0.104183D+01
      3   0.286820D+01 -0.497969D+01  0.306951D+01 -0.531536D+01  0.456498D+01
                51            52            53            54            55 
      1   0.258849D+01  0.108506D+01  0.396743D+01 -0.389502D+01 -0.217735D+01
      2   0.239778D+01 -0.538423D+01  0.294533D+00  0.992118D+01  0.108585D+01
      3  -0.324683D+01  0.874056D+01 -0.576264D+01 -0.306673D+01 -0.626658D+01
                56            57            58            59            60 
      1  -0.618837D+00  0.901024D+00  0.217136D+01 -0.421893D+01 -0.100499D+02
      2   0.215283D+01  0.121007D+00  0.140700D+01 -0.358761D+01  0.314882D+01
      3  -0.136393D+01 -0.410809D+00  0.138511D+02 -0.170006D+02  0.796509D+00
                61            62            63            64            65 
      1  -0.208178D+01  0.220339D+01  0.446331D+01 -0.459018D+01 -0.293780D+01
      2  -0.402666D+01  0.539470D+01 -0.593649D+01  0.200572D+00 -0.219390D+01
      3  -0.502475D+01  0.433483D+01 -0.393806D+01 -0.132189D+02 -0.630452D+01
                66            67            68            69            70 
      1   0.560949D+01 -0.679319D+01  0.585449D+01 -0.167117D+01  0.550990D+01
      2   0.425086D+01 -0.590724D+00  0.758061D+00 -0.237233D+01 -0.233642D+01
      3   0.636034D+01 -0.268921D+00  0.399025D+01  0.638137D+01  0.101026D+02
                71            72            73            74            75 
      1   0.509773D+01 -0.424152D+01  0.459011D+01  0.293889D+01  0.560925D+01
      2  -0.142364D+01 -0.207903D+01 -0.201581D+00  0.219365D+01  0.425040D+01
      3   0.314749D+01 -0.335992D+01 -0.132192D+02 -0.630601D+01 -0.635958D+01
                76            77            78            79            80 
      1   0.679414D+01 -0.585392D+01 -0.167030D+01  0.550847D+01  0.509817D+01
      2   0.590938D+00 -0.758379D+00 -0.237237D+01 -0.233684D+01 -0.142365D+01
      3  -0.271422D+00  0.398926D+01 -0.638182D+01 -0.101005D+02 -0.314795D+01
                81            82            83            84            85 
      1   0.424008D+01  0.140997D+00 -0.221445D+01  0.205239D+01 -0.216217D+01
      2   0.207886D+01  0.152034D+01  0.150966D+01  0.484431D+01  0.134091D+01
      3  -0.335835D+01  0.112935D+01 -0.668891D+01 -0.410620D+00 -0.174924D+01
                86            87            88            89            90 
      1  -0.523461D+01  0.147115D+01 -0.761506D+00  0.682611D+01 -0.137163D+01
      2  -0.510087D+01  0.777634D+00  0.352394D+01  0.110701D+01 -0.114450D+02
      3  -0.821564D+01  0.741453D+01  0.115684D+00  0.955464D+01  0.113160D+01
                91            92            93            94            95 
      1  -0.930229D+00 -0.134506D+01 -0.611655D-02 -0.136194D+01 -0.135345D+01
      2   0.170456D+00  0.515334D+00 -0.101179D+00  0.190240D+01  0.753866D-01
      3  -0.371443D+00 -0.182628D+01  0.270152D+00  0.310550D+00 -0.122766D+01
                96            97            98            99           100 
      1   0.116359D+01  0.178656D+00  0.361170D+01 -0.125788D+01  0.930139D+00
      2   0.558638D+00 -0.303699D+01  0.261179D+00 -0.201176D+01 -0.170025D+00
      3   0.185304D+01 -0.289426D+00  0.226223D+01 -0.659678D+00 -0.371191D+00
               101           102           103           104           105 
      1   0.134500D+01 -0.626032D-02  0.136197D+01  0.135310D+01  0.116345D+01
      2  -0.515375D+00 -0.101339D+00 -0.190226D+01 -0.754307D-01  0.558545D+00
      3  -0.182614D+01 -0.270044D+00  0.310744D+00 -0.122732D+01 -0.185294D+01
               106           107           108           109           110 
      1   0.178669D+00  0.361164D+01  0.125731D+01  0.164589D+01  0.925539D+00
      2  -0.303702D+01  0.260970D+00  0.201222D+01 -0.904305D-01 -0.726014D+00
      3   0.289615D+00 -0.226239D+01 -0.659380D+00  0.288817D+01 -0.798676D+00
               111           112           113           114           115 
      1  -0.694525D+00  0.790211D+00  0.797431D+01 -0.422207D+01 -0.108089D+01
      2  -0.933696D-01  0.976436D+00  0.291427D+01 -0.507616D+01 -0.944148D+00
      3  -0.135708D+01  0.112471D+01  0.155192D+02 -0.432603D+01 -0.199656D+01
               116           117           118           119           120 
      1  -0.291716D+01  0.199267D+01 -0.164605D+01 -0.925833D+00 -0.694454D+00
      2  -0.348411D+01  0.332429D+01  0.903190D-01  0.726083D+00 -0.933750D-01
      3  -0.606953D+01  0.395025D+01  0.288844D+01 -0.798314D+00  0.135715D+01
               121           122           123           124           125 
      1  -0.790576D+00 -0.797363D+01 -0.422177D+01 -0.108079D+01 -0.291703D+01
      2  -0.976575D+00 -0.291428D+01 -0.507603D+01 -0.944223D+00 -0.348412D+01
      3   0.112547D+01  0.155193D+02  0.432658D+01  0.199706D+01  0.607025D+01
               126           127           128           129           130 
      1  -0.199233D+01  0.760161D+01  0.240823D+01 -0.494451D+01  0.354865D+01
      2  -0.332433D+01 -0.172928D+01  0.526424D+00 -0.108859D+01 -0.533576D+00
      3   0.395035D+01  0.134578D+02  0.376688D+01 -0.742129D+01  0.749107D+01
               131           132           133           134           135 
      1   0.219638D+01 -0.400631D+01 -0.501767D+01 -0.237288D+01  0.408909D+01
      2   0.101071D+00 -0.547207D+00 -0.556146D+00 -0.174989D+00  0.189924D+01
      3   0.263092D+01 -0.314302D+01 -0.109565D+02 -0.283860D+01  0.489568D+01
               136           137           138           139           140 
      1  -0.760156D+01 -0.240851D+01 -0.494450D+01 -0.354914D+01 -0.219741D+01
      2   0.172932D+01 -0.526133D+00 -0.108799D+01  0.533851D+00 -0.100794D+00
      3   0.134583D+02  0.376733D+01  0.742064D+01  0.749244D+01  0.263287D+01
               141           142           143           144 
      1  -0.400664D+01 -0.501649D+01 -0.237251D+01 -0.408792D+01
      2  -0.547214D+00 -0.555904D+00 -0.175044D+00 -0.189886D+01
      3   0.314299D+01  0.109541D+02  0.283840D+01  0.489445D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.606675D+01  0.313567D+00 -0.943051D+00  0.709494D+01  0.152857D+02
      2   0.350985D+01  0.662337D+00  0.421262D+01 -0.686406D+01 -0.235528D+02
      3   0.255690D+01 -0.975903D+00 -0.326957D+01 -0.230876D+00  0.826703D+01
      4   0.106932D+02  0.264335D+01  0.298439D+01 -0.101608D+02 -0.135654D+02
      5  -0.723687D+01  0.295892D+01  0.307390D+00 -0.211570D+01 -0.341863D+01
      6  -0.805330D+00 -0.288062D+01  0.856882D+01 -0.491946D+01 -0.791643D+01
                 6             7             8             9            10 
      1   0.490133D+01 -0.118536D+02  0.954790D+01  0.328480D+01  0.169614D-01
      2  -0.294343D+01  0.855399D+01 -0.953349D+01 -0.228780D+01  0.442861D+01
      3  -0.195789D+01  0.329963D+01 -0.144126D-01 -0.996999D+00 -0.444557D+01
      4  -0.621575D+01 -0.541301D+00 -0.808753D+01  0.226751D+01  0.558819D+01
      5   0.521660D+01  0.543047D+00  0.499770D+01 -0.645922D+01  0.120348D+01
      6  -0.130566D+02  0.665509D+00 -0.994780D+00 -0.387270D+01  0.362336D+01
                11            12            13            14            15 
      1   0.873395D+01  0.283618D+01  0.857726D+01 -0.283262D+02 -0.418476D+01
      2  -0.377542D+01 -0.203056D+01 -0.216129D+01  0.479380D+02  0.380154D+01
      3  -0.495853D+01 -0.805622D+00 -0.641597D+01 -0.196119D+02  0.383212D+00
      4   0.135691D+02  0.238042D+01  0.166904D+02  0.330838D+02  0.654937D+01
      5   0.248771D+01  0.461961D+01  0.678418D+01  0.161813D+01  0.536483D+01
      6   0.467306D+00 -0.264296D+01  0.251954D+01  0.167556D+02  0.177627D+02
                16            17            18            19            20 
      1   0.406120D+01 -0.105377D+02 -0.111799D+02  0.428615D+02 -0.589256D+01
      2  -0.296180D+01  0.754578D+01  0.286209D+01 -0.259446D+02  0.312325D+01
      3  -0.109940D+01  0.299193D+01  0.831779D+01 -0.169169D+02  0.276931D+01
      4   0.336561D+01  0.799536D+01  0.853358D+01 -0.900668D+01  0.857599D+01
      5   0.563056D+01  0.602541D+01  0.626341D+01  0.164644D+02 -0.355199D+01
      6  -0.162870D-01  0.152165D+02  0.122269D+02 -0.361445D+01  0.324189D+01
                21            22            23            24            25 
      1   0.838822D+01 -0.270710D+00  0.204421D+01  0.264640D+01  0.145694D+02
      2  -0.729428D+01  0.466513D+00 -0.197192D+01 -0.197948D+01 -0.126058D+02
      3  -0.109394D+01 -0.195803D+00 -0.722842D-01 -0.666914D+00 -0.196361D+01
      4  -0.339614D+01  0.108199D+02  0.640489D+01  0.957522D+01 -0.549900D+01
      5   0.144917D+02  0.599857D+00  0.103055D+02 -0.303118D+00  0.182874D+02
      6  -0.505548D+01  0.328971D+01 -0.192826D+01  0.780451D+01 -0.351440D+01
                26            27            28            29            30 
      1  -0.119654D+01  0.512243D+01  0.439895D+00 -0.321314D+01 -0.470044D+01
      2   0.971115D+00 -0.155195D+02  0.204162D+01  0.432687D+01 -0.470271D+01
      3   0.225429D+00  0.103971D+02 -0.248152D+01 -0.111373D+01  0.940314D+01
      4   0.109275D+02 -0.396973D+01 -0.281050D+01 -0.166815D+01  0.225430D+01
      5  -0.553413D+01  0.203314D+02  0.192235D+01  0.136825D+01 -0.735007D+01
      6   0.683247D+01 -0.584448D+01  0.674017D+01  0.403146D+01 -0.163378D+01
                31            32            33            34            35 
      1   0.137848D+01  0.320763D+01 -0.357175D+01 -0.207696D+01 -0.384104D+01
      2   0.318707D+01 -0.524346D+01 -0.742717D+01 -0.402088D+01 -0.148062D+01
      3  -0.456555D+01  0.203583D+01  0.109989D+02  0.609785D+01  0.532166D+01
      4  -0.760506D+01  0.464516D+01  0.214871D+01  0.207023D+01  0.291110D+01
      5   0.255699D+01  0.592898D+01 -0.738021D+01 -0.525528D+01 -0.471820D+01
      6   0.237788D+01 -0.354309D+01 -0.901221D+01 -0.130237D+01  0.232632D+00
                36            37            38            39            40 
      1  -0.405440D+00  0.441448D+00 -0.321281D+01  0.469945D+01  0.137918D+01
      2   0.103553D+02  0.204122D+01  0.432726D+01  0.470263D+01  0.318607D+01
      3  -0.994987D+01 -0.248267D+01 -0.111445D+01 -0.940207D+01 -0.456525D+01
      4  -0.312029D+01 -0.280914D+01 -0.166808D+01 -0.225440D+01 -0.760476D+01
      5   0.151857D+02 -0.192314D+01 -0.136805D+01 -0.734894D+01 -0.255677D+01
      6   0.968403D+01 -0.673993D+01 -0.403210D+01 -0.163342D+01 -0.237869D+01
                41            42            43            44            45 
      1   0.320799D+01  0.357070D+01  0.207558D+01  0.383967D+01 -0.404335D+00
      2  -0.524296D+01  0.742675D+01  0.402062D+01  0.148149D+01  0.103542D+02
      3   0.203496D+01 -0.109975D+02 -0.609621D+01 -0.532116D+01 -0.994989D+01
      4   0.464720D+01 -0.215021D+01 -0.207077D+01 -0.291232D+01 -0.311926D+01
      5  -0.593068D+01 -0.737880D+01 -0.525245D+01 -0.471686D+01 -0.151871D+02
      6   0.354385D+01 -0.901340D+01 -0.130190D+01  0.232790D+00 -0.968437D+01
                46            47            48            49            50 
      1  -0.606749D+01  0.314371D+00  0.943399D+00  0.709383D+01  0.152841D+02
      2   0.351030D+01  0.660682D+00 -0.421294D+01 -0.686397D+01 -0.235525D+02
      3   0.255719D+01 -0.975053D+00  0.326954D+01 -0.229860D+00  0.826841D+01
      4   0.106922D+02  0.264141D+01 -0.298358D+01 -0.101631D+02 -0.135674D+02
      5   0.723813D+01 -0.295827D+01  0.306028D+00  0.211647D+01  0.341903D+01
      6   0.805402D+00  0.288164D+01  0.856723D+01  0.491920D+01  0.791668D+01
                51            52            53            54            55 
      1  -0.490018D+01  0.118532D+02 -0.954589D+01  0.328361D+01  0.192287D-01
      2   0.294384D+01 -0.855289D+01  0.953199D+01 -0.228757D+01  0.442775D+01
      3   0.195634D+01 -0.330033D+01  0.138920D-01 -0.996037D+00 -0.444698D+01
      4   0.621576D+01  0.541372D+00  0.808704D+01  0.226708D+01  0.558962D+01
      5   0.521548D+01  0.541348D+00  0.499704D+01  0.645993D+01 -0.120406D+01
      6  -0.130560D+02  0.665050D+00 -0.995148D+00  0.387175D+01 -0.362315D+01
                56            57            58            59            60 
      1   0.873332D+01 -0.283554D+01  0.857683D+01 -0.283248D+02  0.418381D+01
      2  -0.377404D+01  0.203044D+01 -0.216006D+01  0.479382D+02 -0.380137D+01
      3  -0.495928D+01  0.805094D+00 -0.641677D+01 -0.196135D+02 -0.382440D+00
      4   0.135716D+02 -0.238039D+01  0.166922D+02  0.330857D+02 -0.654909D+01
      5  -0.248756D+01  0.462009D+01 -0.678478D+01 -0.161792D+01  0.536585D+01
      6  -0.468366D+00 -0.264179D+01 -0.251957D+01 -0.167557D+02  0.177619D+02
                61            62            63            64            65 
      1  -0.406032D+01  0.105364D+02 -0.111785D+02  0.723847D+01  0.154292D+01
      2   0.296138D+01 -0.754424D+01  0.286240D+01 -0.395810D+01 -0.548367D+01
      3   0.109895D+01 -0.299212D+01  0.831614D+01 -0.328037D+01  0.394074D+01
      4  -0.336526D+01 -0.799419D+01  0.853368D+01 -0.114241D+02  0.108888D+02
      5   0.563080D+01  0.602548D+01 -0.626270D+01 -0.281386D+01  0.229307D+01
      6  -0.154976D-01  0.152162D+02 -0.122258D+02  0.884214D+01 -0.489263D+01
                66            67            68            69            70 
      1   0.200585D+01 -0.917439D+00 -0.126697D+02 -0.390142D+01  0.838000D+00
      2   0.120083D+01 -0.464407D+01  0.213928D+02  0.608060D+01  0.961761D+00
      3  -0.320668D+01  0.556151D+01 -0.872315D+01 -0.217918D+01 -0.179976D+01
      4   0.446814D+01  0.101475D+02 -0.147904D+02 -0.272221D+01  0.704715D+01
      5   0.914457D+01  0.125647D+01 -0.890822D+01 -0.180213D+01  0.705152D+01
      6  -0.550584D+01 -0.183416D+01  0.136281D+02  0.122167D+02 -0.597517D+01
                71            72            73            74            75 
      1  -0.594688D+01 -0.566536D+01  0.723965D+01  0.154474D+01 -0.200541D+01
      2   0.430191D+01 -0.320509D+01 -0.395984D+01 -0.548684D+01 -0.120091D+01
      3   0.164498D+01  0.887045D+01 -0.327981D+01  0.394210D+01  0.320632D+01
      4  -0.505466D+01 -0.597108D+01 -0.114249D+02  0.108886D+02 -0.446832D+01
      5  -0.426314D+01 -0.496510D+01  0.281524D+01 -0.229356D+01  0.914507D+01
      6   0.907595D+01  0.102678D+02 -0.884171D+01  0.489343D+01 -0.550587D+01
                76            77            78            79            80 
      1  -0.916419D+00 -0.126670D+02  0.390162D+01 -0.837214D+00  0.594758D+01
      2  -0.464510D+01  0.213885D+02 -0.608070D+01 -0.962325D+00 -0.430289D+01
      3   0.556152D+01 -0.872149D+01  0.217907D+01  0.179954D+01 -0.164468D+01
      4   0.101472D+02 -0.147918D+02  0.272289D+01 -0.704611D+01  0.505403D+01
      5  -0.125664D+01  0.890954D+01 -0.180289D+01  0.705165D+01 -0.426356D+01
      6   0.183484D+01 -0.136282D+02  0.122170D+02 -0.597383D+01  0.907540D+01
                81            82            83            84            85 
      1  -0.566478D+01  0.428580D+02 -0.589285D+01 -0.838830D+01 -0.271391D+00
      2  -0.320563D+01 -0.259432D+02  0.312372D+01  0.729441D+01  0.466972D+00
      3   0.887041D+01 -0.169148D+02  0.276914D+01  0.109389D+01 -0.195581D+00
      4  -0.597072D+01 -0.900690D+01  0.857572D+01  0.339578D+01  0.108193D+02
      5   0.496515D+01 -0.164648D+02  0.355179D+01  0.144917D+02 -0.599678D+00
      6  -0.102668D+02  0.361404D+01 -0.324195D+01 -0.505505D+01 -0.328896D+01
                86            87            88            89            90 
      1   0.204379D+01 -0.264647D+01 -0.145682D+02  0.119625D+01  0.512148D+01
      2  -0.197235D+01  0.197931D+01  0.126050D+02 -0.971140D+00 -0.155196D+02
      3  -0.714354D-01  0.667165D+00  0.196326D+01 -0.225115D+00  0.103981D+02
      4   0.640522D+01 -0.957460D+01  0.549909D+01 -0.109273D+02 -0.396996D+01
      5  -0.103048D+02 -0.303383D+00  0.182871D+02 -0.553427D+01 -0.203320D+02
      6   0.192810D+01  0.780390D+01 -0.351439D+01  0.683293D+01  0.584494D+01
                91            92            93            94            95 
      1   0.309534D+01  0.137829D+01 -0.403375D+00  0.412989D+00 -0.247613D+01
      2  -0.743308D+01 -0.201816D+01  0.750526D+01 -0.178859D+01 -0.182125D+01
      3   0.433774D+01  0.639870D+00 -0.710188D+01  0.137560D+01  0.429738D+01
      4   0.302160D+01  0.349758D+01 -0.209012D+01  0.451939D+01  0.364911D+01
      5  -0.998403D+01 -0.276755D+01  0.138092D+02 -0.390668D+01 -0.578882D+01
      6  -0.360162D+01 -0.256871D+01  0.306978D+01 -0.338192D+01 -0.573011D+01
                96            97            98            99           100 
      1   0.419060D+01  0.222394D+00  0.266231D+01 -0.104844D+02  0.309506D+01
      2   0.404566D+01  0.718537D+01  0.319000D+01 -0.179068D+02 -0.743271D+01
      3  -0.823625D+01 -0.740777D+01 -0.585231D+01  0.283912D+02  0.433765D+01
      4  -0.431488D+01 -0.222252D+01 -0.381671D+01  0.372239D+01  0.302155D+01
      5   0.804347D+01  0.125316D+02  0.475095D+01 -0.221286D+02  0.998380D+01
      6   0.985585D+01  0.301369D+01  0.650173D+01 -0.974469D+01  0.360200D+01
               101           102           103           104           105 
      1   0.137827D+01  0.403635D+00  0.412901D+00 -0.247613D+01 -0.419036D+01
      2  -0.201816D+01 -0.750473D+01 -0.178829D+01 -0.182109D+01 -0.404525D+01
      3   0.639881D+00  0.710110D+01  0.137539D+01  0.429722D+01  0.823561D+01
      4   0.349768D+01  0.209028D+01  0.451938D+01  0.364922D+01  0.431499D+01
      5   0.276763D+01  0.138085D+02  0.390649D+01  0.578888D+01  0.804327D+01
      6   0.256876D+01  0.306982D+01  0.338195D+01  0.573025D+01  0.985582D+01
               106           107           108           109           110 
      1  -0.221952D+00 -0.266231D+01 -0.104842D+02  0.479494D+01 -0.446530D+01
      2  -0.718502D+01 -0.319010D+01 -0.179058D+02 -0.994431D+00  0.729091D+00
      3   0.740697D+01  0.585240D+01  0.283899D+02 -0.380051D+01  0.373621D+01
      4   0.222271D+01  0.381707D+01  0.372260D+01 -0.560632D+01  0.482991D+01
      5   0.125309D+02  0.475117D+01  0.221285D+02  0.177256D+01  0.680688D+00
      6   0.301386D+01  0.650191D+01  0.974552D+01  0.324241D-01 -0.182914D+00
               111           112           113           114           115 
      1   0.856945D+00 -0.120549D+02  0.319149D+01  0.310277D+01  0.707169D+01
      2  -0.106102D+01  0.499012D+01  0.403162D+01 -0.384028D+01 -0.361031D+01
      3   0.204070D+00  0.706477D+01 -0.722311D+01  0.737508D+00 -0.346137D+01
      4  -0.465467D+00  0.896923D+01 -0.214861D+02  0.657006D+00 -0.917986D+00
      5   0.165417D+00  0.550298D+01  0.187304D+01 -0.764470D+01 -0.899372D+00
      6  -0.332697D-01 -0.280278D+01  0.504878D+01  0.222351D+01  0.464321D+00
               116           117           118           119           120 
      1  -0.118754D+01 -0.172278D+01  0.479459D+01 -0.446522D+01 -0.857401D+00
      2  -0.266684D+00  0.225680D+01 -0.994156D+00  0.728897D+00  0.106132D+01
      3   0.145422D+01 -0.534027D+00 -0.380043D+01  0.373632D+01 -0.203917D+00
      4   0.473904D+01 -0.317468D+01 -0.560625D+01  0.482984D+01  0.465676D+00
      5  -0.382168D+01  0.333421D+01 -0.177312D+01 -0.680429D+00  0.165370D+00
      6   0.993785D+00  0.252625D+00 -0.322372D-01  0.182717D+00 -0.333726D-01
               121           122           123           124           125 
      1  -0.120561D+02  0.319181D+01 -0.310275D+01 -0.707273D+01  0.118758D+01
      2   0.499082D+01  0.403096D+01  0.384027D+01  0.361098D+01  0.266542D+00
      3   0.706527D+01 -0.722277D+01 -0.737525D+00  0.346175D+01 -0.145412D+01
      4   0.896923D+01 -0.214856D+02 -0.657683D+00  0.918296D+00 -0.473954D+01
      5  -0.550272D+01 -0.187376D+01 -0.764463D+01 -0.899083D+00 -0.382192D+01
      6   0.280236D+01 -0.504807D+01  0.222297D+01  0.464119D+00  0.993677D+00
               126           127           128           129           130 
      1  -0.172257D+01 -0.213492D+01 -0.244312D+01 -0.314353D+01 -0.219639D+01
      2   0.225659D+01  0.322716D+01  0.445826D+01 -0.728604D+00  0.276764D+01
      3  -0.534021D+00 -0.109224D+01 -0.201514D+01  0.387214D+01 -0.571250D+00
      4  -0.317492D+01  0.651019D+01 -0.282825D+01 -0.227652D+01  0.430344D+01
      5  -0.333455D+01  0.175852D+01  0.135343D+01 -0.329410D+01  0.166776D+01
      6  -0.252730D+00 -0.469184D+01  0.440407D+01  0.323251D+01 -0.133421D+01
               131           132           133           134           135 
      1  -0.659702D+01 -0.384879D+00  0.149421D+01  0.157822D+01 -0.212401D+00
      2   0.119065D+02 -0.195554D+01 -0.139429D+01 -0.362832D+01  0.218257D+01
      3  -0.530948D+01  0.234042D+01 -0.999210D-01  0.205010D+01 -0.197017D+01
      4  -0.976017D+00 -0.681184D+00 -0.535565D+01  0.383423D+01  0.171216D+01
      5   0.729159D+00 -0.149474D+01 -0.206082D+00 -0.470954D+00  0.247611D+01
      6   0.182248D+01  0.410063D+01  0.363021D+01  0.165114D+01 -0.252921D+01
               136           137           138           139           140 
      1  -0.213535D+01 -0.244507D+01  0.314304D+01 -0.219776D+01 -0.659931D+01
      2   0.322833D+01  0.446122D+01  0.728409D+00  0.276960D+01  0.119105D+02
      3  -0.109298D+01 -0.201615D+01 -0.387145D+01 -0.571839D+00 -0.531119D+01
      4   0.651023D+01 -0.282596D+01  0.227614D+01  0.430435D+01 -0.975613D+00
      5  -0.175882D+01 -0.135389D+01 -0.329338D+01 -0.166821D+01 -0.729370D+00
      6   0.469073D+01 -0.440399D+01  0.323266D+01  0.133401D+01 -0.182385D+01
               141           142           143           144 
      1   0.385220D+00 -0.149446D+01 -0.157810D+01 -0.213083D+00
      2   0.195550D+01  0.139437D+01  0.362854D+01  0.218233D+01
      3  -0.234072D+01  0.100098D+00 -0.205044D+01 -0.196925D+01
      4   0.681422D+00  0.535416D+01 -0.383315D+01  0.171165D+01
      5  -0.149490D+01 -0.205659D+00 -0.471005D+00 -0.247538D+01
      6   0.410087D+01  0.362913D+01  0.165187D+01  0.252745D+01
 Leave Link  716 at Thu Jul  8 18:34:06 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.753679D+02 -0.606797D+01 -0.241550D-03
      2  -0.606797D+01  0.790191D+02  0.193500D-03
      3  -0.241550D-03  0.193500D-03  0.637881D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.930631D+01  0.538846D+01  0.160404D-03
      2  -0.280878D+02 -0.101459D+02 -0.741870D-03
      3   0.310703D-03  0.641288D-05  0.132813D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.455066D-02  0.197987D-02 -0.436321D+02
      2   0.264922D-02 -0.752334D-03 -0.841375D+00
      3   0.190143D-02 -0.122754D-02  0.444735D+02
      4   0.184104D-03  0.143394D-02 -0.144319D+02
      5  -0.199935D+02 -0.426859D+01  0.384347D-03
      6  -0.120369D+01  0.231769D+01 -0.192721D-02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.331770D-01 -0.148382D+01  0.214372D+00  0.118717D+01 -0.959110D+00
      2  -0.148382D+01 -0.969982D+00 -0.107485D+01 -0.959110D+00  0.534936D+01
      3   0.214372D+00 -0.107485D+01 -0.107271D+01 -0.291013D-01  0.128875D+01
                 6             7             8             9            10 
      1  -0.291013D-01  0.158122D+01 -0.179321D+01 -0.162804D+00  0.162802D+01
      2   0.128875D+01 -0.179321D+01  0.136950D+01 -0.888123D+00 -0.238834D+01
      3   0.460698D+00 -0.162804D+00 -0.888123D+00 -0.287140D+00 -0.535529D+00
                11            12            13            14            15 
      1  -0.238834D+01 -0.535529D+00 -0.449057D+01  0.157272D+00 -0.118876D+01
      2  -0.237492D+00  0.216510D-01  0.157272D+00 -0.112950D+02 -0.209979D+01
      3   0.216510D-01  0.877175D+00 -0.118876D+01 -0.209979D+01 -0.305770D+01
                16            17            18            19            20 
      1  -0.118048D+01  0.312999D+00 -0.681735D-01 -0.588047D+01  0.154103D+01
      2   0.312999D+00 -0.270565D+01 -0.284496D+01  0.154103D+01 -0.739712D+00
      3  -0.681735D-01 -0.284496D+01 -0.250520D+01 -0.193533D+01  0.519753D+00
                21            22            23            24            25 
      1  -0.193533D+01 -0.717090D+00 -0.105666D+01 -0.434505D+00 -0.319745D+01
      2   0.519753D+00 -0.105666D+01 -0.195146D+01 -0.219033D+01  0.865006D+00
      3  -0.107333D+01 -0.434505D+00 -0.219033D+01 -0.603866D+00 -0.303147D+01
                26            27            28            29            30 
      1   0.865006D+00 -0.303147D+01 -0.460989D+01  0.176697D+01 -0.692073D-01
      2  -0.229628D+01  0.953153D+00  0.176697D+01  0.128995D+01  0.815146D-01
      3   0.953153D+00 -0.354710D+01 -0.692073D-01  0.815146D-01  0.241268D+01
                31            32            33            34            35 
      1   0.267379D+01  0.225325D+01 -0.746217D+00 -0.569737D+00  0.194981D+00
      2   0.225325D+01 -0.284413D+01 -0.944694D+00  0.194981D+00 -0.475846D+00
      3  -0.746217D+00 -0.944694D+00  0.361753D+01  0.242453D+01  0.223329D+01
                36            37            38            39            40 
      1   0.242453D+01  0.461050D+01 -0.176655D+01 -0.700446D-01 -0.267301D+01
      2   0.223329D+01 -0.176655D+01 -0.129000D+01  0.813125D-01 -0.225313D+01
      3  -0.255585D+01 -0.700446D-01  0.813125D-01 -0.241226D+01 -0.746241D+00
                41            42            43            44            45 
      1  -0.225313D+01 -0.746241D+00 -0.570364D+00  0.194642D+00 -0.242381D+01
      2   0.284472D+01 -0.945196D+00  0.194642D+00 -0.476403D+00 -0.223283D+01
      3  -0.945196D+00 -0.361701D+01 -0.242381D+01 -0.223283D+01 -0.255637D+01
                46            47            48            49            50 
      1   0.323445D-01  0.148357D+01  0.214722D+00 -0.118804D+01  0.958514D+00
      2   0.148357D+01  0.969265D+00 -0.107455D+01  0.958514D+00 -0.535004D+01
      3   0.214722D+00 -0.107455D+01  0.107203D+01 -0.287691D-01  0.128902D+01
                51            52            53            54            55 
      1  -0.287691D-01  0.158143D+01 -0.179279D+01  0.162233D+00 -0.162754D+01
      2   0.128902D+01 -0.179279D+01  0.136922D+01  0.887906D+00  0.238844D+01
      3  -0.460933D+00  0.162233D+00  0.887906D+00 -0.287002D+00 -0.535460D+00
                56            57            58            59            60 
      1   0.238844D+01 -0.535460D+00  0.449104D+01 -0.156799D+00 -0.118894D+01
      2   0.238039D+00  0.215434D-01 -0.156799D+00  0.112954D+02 -0.209977D+01
      3   0.215434D-01 -0.876924D+00 -0.118894D+01 -0.209977D+01  0.305787D+01
                61            62            63            64            65 
      1  -0.118023D+01  0.312949D+00  0.683372D-01 -0.431638D+01  0.148851D+01
      2   0.312949D+00 -0.270519D+01  0.284486D+01  0.148851D+01 -0.211920D+01
      3   0.683372D-01  0.284486D+01 -0.250484D+01  0.176732D+01 -0.247222D+00
                66            67            68            69            70 
      1   0.176732D+01 -0.733774D+00 -0.241233D+01  0.107503D+01  0.299672D+01
      2  -0.247222D+00 -0.241233D+01  0.618649D+01  0.204394D+01 -0.921296D-01
      3  -0.194573D+01  0.107503D+01  0.204394D+01 -0.161379D+00 -0.193088D+01
                71            72            73            74            75 
      1  -0.921296D-01 -0.193088D+01  0.431649D+01 -0.148837D+01  0.176731D+01
      2   0.204809D+01  0.158215D+01 -0.148837D+01  0.212010D+01 -0.247394D+00
      3   0.158215D+01  0.256632D+01  0.176731D+01 -0.247394D+00  0.194571D+01
                76            77            78            79            80 
      1   0.733920D+00  0.241274D+01  0.107491D+01  0.299587D+01 -0.920563D-01
      2   0.241274D+01 -0.618579D+01  0.204409D+01 -0.920563D-01  0.204824D+01
      3   0.107491D+01  0.204409D+01  0.161314D+00  0.193040D+01 -0.158221D+01
                81            82            83            84            85 
      1   0.193040D+01  0.588010D+01 -0.154104D+01 -0.193538D+01  0.716878D+00
      2  -0.158221D+01 -0.154104D+01  0.739759D+00  0.519688D+00  0.105653D+01
      3   0.256590D+01 -0.193538D+01  0.519688D+00  0.107347D+01 -0.434414D+00
                86            87            88            89            90 
      1   0.105653D+01 -0.434414D+00 -0.319728D+01  0.864987D+00  0.303144D+01
      2   0.195162D+01 -0.219033D+01  0.864987D+00 -0.229624D+01 -0.953221D+00
      3  -0.219033D+01  0.603805D+00  0.303144D+01 -0.953221D+00 -0.354740D+01
                91            92            93            94            95 
      1  -0.142877D+01 -0.884230D+00  0.199371D+01 -0.152008D+01 -0.107636D+01
      2  -0.884230D+00 -0.867125D+00  0.337561D+00 -0.107636D+01 -0.114953D+01
      3   0.199371D+01  0.337561D+00 -0.250629D+01  0.697089D+00  0.165658D+01
                96            97            98            99           100 
      1   0.697089D+00  0.236297D+01  0.541091D+00 -0.251087D+01  0.142853D+01
      2   0.165658D+01  0.541091D+00  0.169480D+01 -0.155168D+01  0.884214D+00
      3  -0.249583D+01 -0.251087D+01 -0.155168D+01  0.687448D+01  0.199372D+01
               101           102           103           104           105 
      1   0.884214D+00  0.199372D+01  0.151997D+01  0.107636D+01  0.697072D+00
      2   0.867130D+00  0.337574D+00  0.107636D+01  0.114953D+01  0.165656D+01
      3   0.337574D+00  0.250612D+01  0.697072D+00  0.165656D+01  0.249574D+01
               106           107           108           109           110 
      1   0.236300D+01  0.541127D+00  0.251067D+01  0.112787D+01 -0.978097D+00
      2   0.541127D+00  0.169495D+01  0.155168D+01 -0.978097D+00  0.792936D+00
      3   0.251067D+01  0.155168D+01  0.687439D+01  0.355353D+00  0.143544D+00
               111           112           113           114           115 
      1   0.355353D+00 -0.298467D+01  0.139539D+01  0.118853D+01  0.128471D+01
      2   0.143544D+00  0.139539D+01 -0.476898D+01  0.422126D+00 -0.239290D-02
      3   0.499982D-01  0.118853D+01  0.422126D+00 -0.195047D+01 -0.366952D+00
               116           117           118           119           120 
      1  -0.239290D-02 -0.366952D+00 -0.112780D+01  0.978085D+00  0.355474D+00
      2   0.107509D+01 -0.960860D+00  0.978085D+00 -0.792943D+00  0.143504D+00
      3  -0.960860D+00  0.506780D+00  0.355474D+00  0.143504D+00 -0.500137D-01
               121           122           123           124           125 
      1   0.298490D+01 -0.139532D+01  0.118851D+01  0.128495D+01 -0.238695D-02
      2  -0.139532D+01  0.476872D+01  0.422248D+00 -0.238695D-02  0.107516D+01
      3   0.118851D+01  0.422248D+00  0.195036D+01  0.366925D+00  0.960867D+00
               126           127           128           129           130 
      1   0.366925D+00  0.385812D+01  0.440618D+00 -0.179064D+01  0.189695D+01
      2   0.960867D+00  0.440618D+00  0.107086D+01  0.218163D+00  0.296495D+00
      3   0.506797D+00 -0.179064D+01  0.218163D+00  0.156312D+01 -0.562087D+00
               131           132           133           134           135 
      1   0.296495D+00 -0.562087D+00 -0.327819D+01 -0.263606D-01  0.120209D+01
      2   0.278597D+01 -0.176649D+00 -0.263606D-01 -0.709807D+00  0.486366D+00
      3  -0.176649D+00  0.126799D+01  0.120209D+01  0.486366D+00 -0.105223D+01
               136           137           138           139           140 
      1  -0.385795D+01 -0.440994D+00 -0.179039D+01 -0.189738D+01 -0.296847D+00
      2  -0.440994D+00 -0.107159D+01  0.218205D+00 -0.296847D+00 -0.278686D+01
      3  -0.179039D+01  0.218205D+00 -0.156304D+01 -0.562119D+00 -0.176560D+00
               141           142           143           144 
      1  -0.562119D+00 -0.327714D+01 -0.264529D-01 -0.120165D+01
      2  -0.176560D+00 -0.264529D-01 -0.709650D+00 -0.486378D+00
      3  -0.126813D+01 -0.120165D+01 -0.486378D+00 -0.105153D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.201503D+01 -0.344343D+01 -0.260866D+01 -0.418078D+01 -0.488561D+01
      2   0.109232D+02  0.600683D+01  0.672000D+01  0.694017D+01 -0.104071D+01
      3   0.286821D+01 -0.498051D+01 -0.307024D+01 -0.531481D+01  0.456451D+01
                 6             7             8             9            10 
      1   0.258799D+01  0.108550D+01  0.396724D+01  0.389591D+01  0.217757D+01
      2   0.240003D+01 -0.538386D+01  0.295221D+00 -0.992040D+01 -0.108502D+01
      3   0.324662D+01 -0.874266D+01  0.576334D+01 -0.306771D+01 -0.626755D+01
                11            12            13            14            15 
      1   0.618740D+00  0.901955D+00 -0.217164D+01  0.421909D+01 -0.100500D+02
      2  -0.215315D+01  0.120823D+00 -0.140828D+01  0.358774D+01  0.314801D+01
      3  -0.136305D+01  0.410976D+00  0.138513D+02 -0.170014D+02 -0.796585D+00
                16            17            18            19            20 
      1  -0.208197D+01  0.220323D+01 -0.446418D+01 -0.140741D+00  0.221454D+01
      2  -0.402651D+01  0.539526D+01  0.593752D+01 -0.152011D+01 -0.151002D+01
      3   0.502587D+01 -0.433530D+01 -0.393826D+01  0.112963D+01 -0.668900D+01
                21            22            23            24            25 
      1   0.205293D+01  0.216269D+01  0.523439D+01  0.147073D+01 -0.761813D+00
      2   0.484465D+01 -0.134131D+01  0.510077D+01  0.777235D+00  0.352472D+01
      3   0.410720D+00 -0.175069D+01 -0.821597D+01 -0.741500D+01 -0.115718D+00
                26            27            28            29            30 
      1   0.682586D+01  0.137131D+01  0.175785D+01  0.143430D+01 -0.310478D+00
      2   0.110716D+01  0.114452D+02  0.108703D+02 -0.527828D+00  0.129395D+01
      3  -0.955526D+01  0.113149D+01  0.103084D+01 -0.155964D+01 -0.266027D+00
                31            32            33            34            35 
      1   0.382425D+01 -0.376194D+01 -0.122087D+01  0.651760D+00  0.333887D+01
      2  -0.559858D+01 -0.179942D+01  0.111186D+01 -0.608259D+01 -0.458749D+00
      3   0.339807D+01 -0.177798D+01 -0.212147D+01 -0.298633D+00 -0.127815D+01
                36            37            38            39            40 
      1   0.255513D+01 -0.175711D+01 -0.143433D+01 -0.310601D+00 -0.382387D+01
      2   0.169830D+01 -0.108720D+02  0.526762D+00  0.129605D+01  0.559675D+01
      3   0.104762D+01  0.102983D+01 -0.155950D+01  0.266118D+00  0.339843D+01
                41            42            43            44            45 
      1   0.376350D+01 -0.122132D+01  0.651010D+00  0.333818D+01 -0.255422D+01
      2   0.179836D+01  0.111277D+01 -0.608056D+01 -0.457245D+00 -0.170075D+01
      3  -0.177917D+01  0.212194D+01  0.299233D+00  0.127863D+01  0.104665D+01
                46            47            48            49            50 
      1   0.201409D+01  0.344301D+01 -0.260693D+01  0.418016D+01  0.488414D+01
      2  -0.109220D+02 -0.600506D+01  0.671880D+01 -0.693713D+01  0.104183D+01
      3   0.286820D+01 -0.497969D+01  0.306951D+01 -0.531536D+01  0.456498D+01
                51            52            53            54            55 
      1   0.258849D+01  0.108506D+01  0.396743D+01 -0.389502D+01 -0.217735D+01
      2   0.239778D+01 -0.538423D+01  0.294533D+00  0.992118D+01  0.108585D+01
      3  -0.324683D+01  0.874056D+01 -0.576264D+01 -0.306673D+01 -0.626658D+01
                56            57            58            59            60 
      1  -0.618837D+00  0.901024D+00  0.217136D+01 -0.421893D+01 -0.100499D+02
      2   0.215283D+01  0.121007D+00  0.140700D+01 -0.358761D+01  0.314882D+01
      3  -0.136393D+01 -0.410809D+00  0.138511D+02 -0.170006D+02  0.796509D+00
                61            62            63            64            65 
      1  -0.208178D+01  0.220339D+01  0.446331D+01 -0.459018D+01 -0.293780D+01
      2  -0.402666D+01  0.539470D+01 -0.593649D+01  0.200572D+00 -0.219390D+01
      3  -0.502475D+01  0.433483D+01 -0.393806D+01 -0.132189D+02 -0.630452D+01
                66            67            68            69            70 
      1   0.560949D+01 -0.679319D+01  0.585449D+01 -0.167117D+01  0.550990D+01
      2   0.425086D+01 -0.590724D+00  0.758061D+00 -0.237233D+01 -0.233642D+01
      3   0.636034D+01 -0.268921D+00  0.399025D+01  0.638137D+01  0.101026D+02
                71            72            73            74            75 
      1   0.509773D+01 -0.424152D+01  0.459011D+01  0.293889D+01  0.560925D+01
      2  -0.142364D+01 -0.207903D+01 -0.201581D+00  0.219365D+01  0.425040D+01
      3   0.314749D+01 -0.335992D+01 -0.132192D+02 -0.630601D+01 -0.635958D+01
                76            77            78            79            80 
      1   0.679414D+01 -0.585392D+01 -0.167030D+01  0.550847D+01  0.509817D+01
      2   0.590938D+00 -0.758379D+00 -0.237237D+01 -0.233684D+01 -0.142365D+01
      3  -0.271422D+00  0.398926D+01 -0.638182D+01 -0.101005D+02 -0.314795D+01
                81            82            83            84            85 
      1   0.424008D+01  0.140997D+00 -0.221445D+01  0.205239D+01 -0.216217D+01
      2   0.207886D+01  0.152034D+01  0.150966D+01  0.484431D+01  0.134091D+01
      3  -0.335835D+01  0.112935D+01 -0.668891D+01 -0.410620D+00 -0.174924D+01
                86            87            88            89            90 
      1  -0.523461D+01  0.147115D+01 -0.761506D+00  0.682611D+01 -0.137163D+01
      2  -0.510087D+01  0.777634D+00  0.352394D+01  0.110701D+01 -0.114450D+02
      3  -0.821564D+01  0.741453D+01  0.115684D+00  0.955464D+01  0.113160D+01
                91            92            93            94            95 
      1  -0.930229D+00 -0.134506D+01 -0.611655D-02 -0.136194D+01 -0.135345D+01
      2   0.170456D+00  0.515334D+00 -0.101179D+00  0.190240D+01  0.753866D-01
      3  -0.371443D+00 -0.182628D+01  0.270152D+00  0.310550D+00 -0.122766D+01
                96            97            98            99           100 
      1   0.116359D+01  0.178656D+00  0.361170D+01 -0.125788D+01  0.930139D+00
      2   0.558638D+00 -0.303699D+01  0.261179D+00 -0.201176D+01 -0.170025D+00
      3   0.185304D+01 -0.289426D+00  0.226223D+01 -0.659678D+00 -0.371191D+00
               101           102           103           104           105 
      1   0.134500D+01 -0.626032D-02  0.136197D+01  0.135310D+01  0.116345D+01
      2  -0.515375D+00 -0.101339D+00 -0.190226D+01 -0.754307D-01  0.558545D+00
      3  -0.182614D+01 -0.270044D+00  0.310744D+00 -0.122732D+01 -0.185294D+01
               106           107           108           109           110 
      1   0.178669D+00  0.361164D+01  0.125731D+01  0.164589D+01  0.925539D+00
      2  -0.303702D+01  0.260970D+00  0.201222D+01 -0.904305D-01 -0.726014D+00
      3   0.289615D+00 -0.226239D+01 -0.659380D+00  0.288817D+01 -0.798676D+00
               111           112           113           114           115 
      1  -0.694525D+00  0.790211D+00  0.797431D+01 -0.422207D+01 -0.108089D+01
      2  -0.933696D-01  0.976436D+00  0.291427D+01 -0.507616D+01 -0.944148D+00
      3  -0.135708D+01  0.112471D+01  0.155192D+02 -0.432603D+01 -0.199656D+01
               116           117           118           119           120 
      1  -0.291716D+01  0.199267D+01 -0.164605D+01 -0.925833D+00 -0.694454D+00
      2  -0.348411D+01  0.332429D+01  0.903190D-01  0.726083D+00 -0.933750D-01
      3  -0.606953D+01  0.395025D+01  0.288844D+01 -0.798314D+00  0.135715D+01
               121           122           123           124           125 
      1  -0.790576D+00 -0.797363D+01 -0.422177D+01 -0.108079D+01 -0.291703D+01
      2  -0.976575D+00 -0.291428D+01 -0.507603D+01 -0.944223D+00 -0.348412D+01
      3   0.112547D+01  0.155193D+02  0.432658D+01  0.199706D+01  0.607025D+01
               126           127           128           129           130 
      1  -0.199233D+01  0.760161D+01  0.240823D+01 -0.494451D+01  0.354865D+01
      2  -0.332433D+01 -0.172928D+01  0.526424D+00 -0.108859D+01 -0.533576D+00
      3   0.395035D+01  0.134578D+02  0.376688D+01 -0.742129D+01  0.749107D+01
               131           132           133           134           135 
      1   0.219638D+01 -0.400631D+01 -0.501767D+01 -0.237288D+01  0.408909D+01
      2   0.101071D+00 -0.547207D+00 -0.556146D+00 -0.174989D+00  0.189924D+01
      3   0.263092D+01 -0.314302D+01 -0.109565D+02 -0.283860D+01  0.489568D+01
               136           137           138           139           140 
      1  -0.760156D+01 -0.240851D+01 -0.494450D+01 -0.354914D+01 -0.219741D+01
      2   0.172932D+01 -0.526133D+00 -0.108799D+01  0.533851D+00 -0.100794D+00
      3   0.134583D+02  0.376733D+01  0.742064D+01  0.749244D+01  0.263287D+01
               141           142           143           144 
      1  -0.400664D+01 -0.501649D+01 -0.237251D+01 -0.408792D+01
      2  -0.547214D+00 -0.555904D+00 -0.175044D+00 -0.189886D+01
      3   0.314299D+01  0.109541D+02  0.283840D+01  0.489445D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.606675D+01  0.313567D+00 -0.943051D+00  0.709494D+01  0.152857D+02
      2   0.350985D+01  0.662337D+00  0.421262D+01 -0.686406D+01 -0.235528D+02
      3   0.255690D+01 -0.975903D+00 -0.326957D+01 -0.230876D+00  0.826703D+01
      4   0.106932D+02  0.264335D+01  0.298439D+01 -0.101608D+02 -0.135654D+02
      5  -0.723687D+01  0.295892D+01  0.307390D+00 -0.211570D+01 -0.341863D+01
      6  -0.805330D+00 -0.288062D+01  0.856882D+01 -0.491946D+01 -0.791643D+01
                 6             7             8             9            10 
      1   0.490133D+01 -0.118536D+02  0.954790D+01  0.328480D+01  0.169614D-01
      2  -0.294343D+01  0.855399D+01 -0.953349D+01 -0.228780D+01  0.442861D+01
      3  -0.195789D+01  0.329963D+01 -0.144126D-01 -0.996999D+00 -0.444557D+01
      4  -0.621575D+01 -0.541301D+00 -0.808753D+01  0.226751D+01  0.558819D+01
      5   0.521660D+01  0.543047D+00  0.499770D+01 -0.645922D+01  0.120348D+01
      6  -0.130566D+02  0.665509D+00 -0.994780D+00 -0.387270D+01  0.362336D+01
                11            12            13            14            15 
      1   0.873395D+01  0.283618D+01  0.857726D+01 -0.283262D+02 -0.418476D+01
      2  -0.377542D+01 -0.203056D+01 -0.216129D+01  0.479380D+02  0.380154D+01
      3  -0.495853D+01 -0.805622D+00 -0.641597D+01 -0.196119D+02  0.383212D+00
      4   0.135691D+02  0.238042D+01  0.166904D+02  0.330838D+02  0.654937D+01
      5   0.248771D+01  0.461961D+01  0.678418D+01  0.161813D+01  0.536483D+01
      6   0.467306D+00 -0.264296D+01  0.251954D+01  0.167556D+02  0.177627D+02
                16            17            18            19            20 
      1   0.406120D+01 -0.105377D+02 -0.111799D+02  0.428615D+02 -0.589256D+01
      2  -0.296180D+01  0.754578D+01  0.286209D+01 -0.259446D+02  0.312325D+01
      3  -0.109940D+01  0.299193D+01  0.831779D+01 -0.169169D+02  0.276931D+01
      4   0.336561D+01  0.799536D+01  0.853358D+01 -0.900668D+01  0.857599D+01
      5   0.563056D+01  0.602541D+01  0.626341D+01  0.164644D+02 -0.355199D+01
      6  -0.162870D-01  0.152165D+02  0.122269D+02 -0.361445D+01  0.324189D+01
                21            22            23            24            25 
      1   0.838822D+01 -0.270710D+00  0.204421D+01  0.264640D+01  0.145694D+02
      2  -0.729428D+01  0.466513D+00 -0.197192D+01 -0.197948D+01 -0.126058D+02
      3  -0.109394D+01 -0.195803D+00 -0.722842D-01 -0.666914D+00 -0.196361D+01
      4  -0.339614D+01  0.108199D+02  0.640489D+01  0.957522D+01 -0.549900D+01
      5   0.144917D+02  0.599857D+00  0.103055D+02 -0.303118D+00  0.182874D+02
      6  -0.505548D+01  0.328971D+01 -0.192826D+01  0.780451D+01 -0.351440D+01
                26            27            28            29            30 
      1  -0.119654D+01  0.512243D+01  0.439895D+00 -0.321314D+01 -0.470044D+01
      2   0.971115D+00 -0.155195D+02  0.204162D+01  0.432687D+01 -0.470271D+01
      3   0.225429D+00  0.103971D+02 -0.248152D+01 -0.111373D+01  0.940314D+01
      4   0.109275D+02 -0.396973D+01 -0.281050D+01 -0.166815D+01  0.225430D+01
      5  -0.553413D+01  0.203314D+02  0.192235D+01  0.136825D+01 -0.735007D+01
      6   0.683247D+01 -0.584448D+01  0.674017D+01  0.403146D+01 -0.163378D+01
                31            32            33            34            35 
      1   0.137848D+01  0.320763D+01 -0.357175D+01 -0.207696D+01 -0.384104D+01
      2   0.318707D+01 -0.524346D+01 -0.742717D+01 -0.402088D+01 -0.148062D+01
      3  -0.456555D+01  0.203583D+01  0.109989D+02  0.609785D+01  0.532166D+01
      4  -0.760506D+01  0.464516D+01  0.214871D+01  0.207023D+01  0.291110D+01
      5   0.255699D+01  0.592898D+01 -0.738021D+01 -0.525528D+01 -0.471820D+01
      6   0.237788D+01 -0.354309D+01 -0.901221D+01 -0.130237D+01  0.232632D+00
                36            37            38            39            40 
      1  -0.405440D+00  0.441448D+00 -0.321281D+01  0.469945D+01  0.137918D+01
      2   0.103553D+02  0.204122D+01  0.432726D+01  0.470263D+01  0.318607D+01
      3  -0.994987D+01 -0.248267D+01 -0.111445D+01 -0.940207D+01 -0.456525D+01
      4  -0.312029D+01 -0.280914D+01 -0.166808D+01 -0.225440D+01 -0.760476D+01
      5   0.151857D+02 -0.192314D+01 -0.136805D+01 -0.734894D+01 -0.255677D+01
      6   0.968403D+01 -0.673993D+01 -0.403210D+01 -0.163342D+01 -0.237869D+01
                41            42            43            44            45 
      1   0.320799D+01  0.357070D+01  0.207558D+01  0.383967D+01 -0.404335D+00
      2  -0.524296D+01  0.742675D+01  0.402062D+01  0.148149D+01  0.103542D+02
      3   0.203496D+01 -0.109975D+02 -0.609621D+01 -0.532116D+01 -0.994989D+01
      4   0.464720D+01 -0.215021D+01 -0.207077D+01 -0.291232D+01 -0.311926D+01
      5  -0.593068D+01 -0.737880D+01 -0.525245D+01 -0.471686D+01 -0.151871D+02
      6   0.354385D+01 -0.901340D+01 -0.130190D+01  0.232790D+00 -0.968437D+01
                46            47            48            49            50 
      1  -0.606749D+01  0.314371D+00  0.943399D+00  0.709383D+01  0.152841D+02
      2   0.351030D+01  0.660682D+00 -0.421294D+01 -0.686397D+01 -0.235525D+02
      3   0.255719D+01 -0.975053D+00  0.326954D+01 -0.229860D+00  0.826841D+01
      4   0.106922D+02  0.264141D+01 -0.298358D+01 -0.101631D+02 -0.135674D+02
      5   0.723813D+01 -0.295827D+01  0.306028D+00  0.211647D+01  0.341903D+01
      6   0.805402D+00  0.288164D+01  0.856723D+01  0.491920D+01  0.791668D+01
                51            52            53            54            55 
      1  -0.490018D+01  0.118532D+02 -0.954589D+01  0.328361D+01  0.192287D-01
      2   0.294384D+01 -0.855289D+01  0.953199D+01 -0.228757D+01  0.442775D+01
      3   0.195634D+01 -0.330033D+01  0.138920D-01 -0.996037D+00 -0.444698D+01
      4   0.621576D+01  0.541372D+00  0.808704D+01  0.226708D+01  0.558962D+01
      5   0.521548D+01  0.541348D+00  0.499704D+01  0.645993D+01 -0.120406D+01
      6  -0.130560D+02  0.665050D+00 -0.995148D+00  0.387175D+01 -0.362315D+01
                56            57            58            59            60 
      1   0.873332D+01 -0.283554D+01  0.857683D+01 -0.283248D+02  0.418381D+01
      2  -0.377404D+01  0.203044D+01 -0.216006D+01  0.479382D+02 -0.380137D+01
      3  -0.495928D+01  0.805094D+00 -0.641677D+01 -0.196135D+02 -0.382440D+00
      4   0.135716D+02 -0.238039D+01  0.166922D+02  0.330857D+02 -0.654909D+01
      5  -0.248756D+01  0.462009D+01 -0.678478D+01 -0.161792D+01  0.536585D+01
      6  -0.468366D+00 -0.264179D+01 -0.251957D+01 -0.167557D+02  0.177619D+02
                61            62            63            64            65 
      1  -0.406032D+01  0.105364D+02 -0.111785D+02  0.723847D+01  0.154292D+01
      2   0.296138D+01 -0.754424D+01  0.286240D+01 -0.395810D+01 -0.548367D+01
      3   0.109895D+01 -0.299212D+01  0.831614D+01 -0.328037D+01  0.394074D+01
      4  -0.336526D+01 -0.799419D+01  0.853368D+01 -0.114241D+02  0.108888D+02
      5   0.563080D+01  0.602548D+01 -0.626270D+01 -0.281386D+01  0.229307D+01
      6  -0.154976D-01  0.152162D+02 -0.122258D+02  0.884214D+01 -0.489263D+01
                66            67            68            69            70 
      1   0.200585D+01 -0.917439D+00 -0.126697D+02 -0.390142D+01  0.838000D+00
      2   0.120083D+01 -0.464407D+01  0.213928D+02  0.608060D+01  0.961761D+00
      3  -0.320668D+01  0.556151D+01 -0.872315D+01 -0.217918D+01 -0.179976D+01
      4   0.446814D+01  0.101475D+02 -0.147904D+02 -0.272221D+01  0.704715D+01
      5   0.914457D+01  0.125647D+01 -0.890822D+01 -0.180213D+01  0.705152D+01
      6  -0.550584D+01 -0.183416D+01  0.136281D+02  0.122167D+02 -0.597517D+01
                71            72            73            74            75 
      1  -0.594688D+01 -0.566536D+01  0.723965D+01  0.154474D+01 -0.200541D+01
      2   0.430191D+01 -0.320509D+01 -0.395984D+01 -0.548684D+01 -0.120091D+01
      3   0.164498D+01  0.887045D+01 -0.327981D+01  0.394210D+01  0.320632D+01
      4  -0.505466D+01 -0.597108D+01 -0.114249D+02  0.108886D+02 -0.446832D+01
      5  -0.426314D+01 -0.496510D+01  0.281524D+01 -0.229356D+01  0.914507D+01
      6   0.907595D+01  0.102678D+02 -0.884171D+01  0.489343D+01 -0.550587D+01
                76            77            78            79            80 
      1  -0.916419D+00 -0.126670D+02  0.390162D+01 -0.837214D+00  0.594758D+01
      2  -0.464510D+01  0.213885D+02 -0.608070D+01 -0.962325D+00 -0.430289D+01
      3   0.556152D+01 -0.872149D+01  0.217907D+01  0.179954D+01 -0.164468D+01
      4   0.101472D+02 -0.147918D+02  0.272289D+01 -0.704611D+01  0.505403D+01
      5  -0.125664D+01  0.890954D+01 -0.180289D+01  0.705165D+01 -0.426356D+01
      6   0.183484D+01 -0.136282D+02  0.122170D+02 -0.597383D+01  0.907540D+01
                81            82            83            84            85 
      1  -0.566478D+01  0.428580D+02 -0.589285D+01 -0.838830D+01 -0.271391D+00
      2  -0.320563D+01 -0.259432D+02  0.312372D+01  0.729441D+01  0.466972D+00
      3   0.887041D+01 -0.169148D+02  0.276914D+01  0.109389D+01 -0.195581D+00
      4  -0.597072D+01 -0.900690D+01  0.857572D+01  0.339578D+01  0.108193D+02
      5   0.496515D+01 -0.164648D+02  0.355179D+01  0.144917D+02 -0.599678D+00
      6  -0.102668D+02  0.361404D+01 -0.324195D+01 -0.505505D+01 -0.328896D+01
                86            87            88            89            90 
      1   0.204379D+01 -0.264647D+01 -0.145682D+02  0.119625D+01  0.512148D+01
      2  -0.197235D+01  0.197931D+01  0.126050D+02 -0.971140D+00 -0.155196D+02
      3  -0.714354D-01  0.667165D+00  0.196326D+01 -0.225115D+00  0.103981D+02
      4   0.640522D+01 -0.957460D+01  0.549909D+01 -0.109273D+02 -0.396996D+01
      5  -0.103048D+02 -0.303383D+00  0.182871D+02 -0.553427D+01 -0.203320D+02
      6   0.192810D+01  0.780390D+01 -0.351439D+01  0.683293D+01  0.584494D+01
                91            92            93            94            95 
      1   0.309534D+01  0.137829D+01 -0.403375D+00  0.412989D+00 -0.247613D+01
      2  -0.743308D+01 -0.201816D+01  0.750526D+01 -0.178859D+01 -0.182125D+01
      3   0.433774D+01  0.639870D+00 -0.710188D+01  0.137560D+01  0.429738D+01
      4   0.302160D+01  0.349758D+01 -0.209012D+01  0.451939D+01  0.364911D+01
      5  -0.998403D+01 -0.276755D+01  0.138092D+02 -0.390668D+01 -0.578882D+01
      6  -0.360162D+01 -0.256871D+01  0.306978D+01 -0.338192D+01 -0.573011D+01
                96            97            98            99           100 
      1   0.419060D+01  0.222394D+00  0.266231D+01 -0.104844D+02  0.309506D+01
      2   0.404566D+01  0.718537D+01  0.319000D+01 -0.179068D+02 -0.743271D+01
      3  -0.823625D+01 -0.740777D+01 -0.585231D+01  0.283912D+02  0.433765D+01
      4  -0.431488D+01 -0.222252D+01 -0.381671D+01  0.372239D+01  0.302155D+01
      5   0.804347D+01  0.125316D+02  0.475095D+01 -0.221286D+02  0.998380D+01
      6   0.985585D+01  0.301369D+01  0.650173D+01 -0.974469D+01  0.360200D+01
               101           102           103           104           105 
      1   0.137827D+01  0.403635D+00  0.412901D+00 -0.247613D+01 -0.419036D+01
      2  -0.201816D+01 -0.750473D+01 -0.178829D+01 -0.182109D+01 -0.404525D+01
      3   0.639881D+00  0.710110D+01  0.137539D+01  0.429722D+01  0.823561D+01
      4   0.349768D+01  0.209028D+01  0.451938D+01  0.364922D+01  0.431499D+01
      5   0.276763D+01  0.138085D+02  0.390649D+01  0.578888D+01  0.804327D+01
      6   0.256876D+01  0.306982D+01  0.338195D+01  0.573025D+01  0.985582D+01
               106           107           108           109           110 
      1  -0.221952D+00 -0.266231D+01 -0.104842D+02  0.479494D+01 -0.446530D+01
      2  -0.718502D+01 -0.319010D+01 -0.179058D+02 -0.994431D+00  0.729091D+00
      3   0.740697D+01  0.585240D+01  0.283899D+02 -0.380051D+01  0.373621D+01
      4   0.222271D+01  0.381707D+01  0.372260D+01 -0.560632D+01  0.482991D+01
      5   0.125309D+02  0.475117D+01  0.221285D+02  0.177256D+01  0.680688D+00
      6   0.301386D+01  0.650191D+01  0.974552D+01  0.324241D-01 -0.182914D+00
               111           112           113           114           115 
      1   0.856945D+00 -0.120549D+02  0.319149D+01  0.310277D+01  0.707169D+01
      2  -0.106102D+01  0.499012D+01  0.403162D+01 -0.384028D+01 -0.361031D+01
      3   0.204070D+00  0.706477D+01 -0.722311D+01  0.737508D+00 -0.346137D+01
      4  -0.465467D+00  0.896923D+01 -0.214861D+02  0.657006D+00 -0.917986D+00
      5   0.165417D+00  0.550298D+01  0.187304D+01 -0.764470D+01 -0.899372D+00
      6  -0.332697D-01 -0.280278D+01  0.504878D+01  0.222351D+01  0.464321D+00
               116           117           118           119           120 
      1  -0.118754D+01 -0.172278D+01  0.479459D+01 -0.446522D+01 -0.857401D+00
      2  -0.266684D+00  0.225680D+01 -0.994156D+00  0.728897D+00  0.106132D+01
      3   0.145422D+01 -0.534027D+00 -0.380043D+01  0.373632D+01 -0.203917D+00
      4   0.473904D+01 -0.317468D+01 -0.560625D+01  0.482984D+01  0.465676D+00
      5  -0.382168D+01  0.333421D+01 -0.177312D+01 -0.680429D+00  0.165370D+00
      6   0.993785D+00  0.252625D+00 -0.322372D-01  0.182717D+00 -0.333726D-01
               121           122           123           124           125 
      1  -0.120561D+02  0.319181D+01 -0.310275D+01 -0.707273D+01  0.118758D+01
      2   0.499082D+01  0.403096D+01  0.384027D+01  0.361098D+01  0.266542D+00
      3   0.706527D+01 -0.722277D+01 -0.737525D+00  0.346175D+01 -0.145412D+01
      4   0.896923D+01 -0.214856D+02 -0.657683D+00  0.918296D+00 -0.473954D+01
      5  -0.550272D+01 -0.187376D+01 -0.764463D+01 -0.899083D+00 -0.382192D+01
      6   0.280236D+01 -0.504807D+01  0.222297D+01  0.464119D+00  0.993677D+00
               126           127           128           129           130 
      1  -0.172257D+01 -0.213492D+01 -0.244312D+01 -0.314353D+01 -0.219639D+01
      2   0.225659D+01  0.322716D+01  0.445826D+01 -0.728604D+00  0.276764D+01
      3  -0.534021D+00 -0.109224D+01 -0.201514D+01  0.387214D+01 -0.571250D+00
      4  -0.317492D+01  0.651019D+01 -0.282825D+01 -0.227652D+01  0.430344D+01
      5  -0.333455D+01  0.175852D+01  0.135343D+01 -0.329410D+01  0.166776D+01
      6  -0.252730D+00 -0.469184D+01  0.440407D+01  0.323251D+01 -0.133421D+01
               131           132           133           134           135 
      1  -0.659702D+01 -0.384879D+00  0.149421D+01  0.157822D+01 -0.212401D+00
      2   0.119065D+02 -0.195554D+01 -0.139429D+01 -0.362832D+01  0.218257D+01
      3  -0.530948D+01  0.234042D+01 -0.999210D-01  0.205010D+01 -0.197017D+01
      4  -0.976017D+00 -0.681184D+00 -0.535565D+01  0.383423D+01  0.171216D+01
      5   0.729159D+00 -0.149474D+01 -0.206082D+00 -0.470954D+00  0.247611D+01
      6   0.182248D+01  0.410063D+01  0.363021D+01  0.165114D+01 -0.252921D+01
               136           137           138           139           140 
      1  -0.213535D+01 -0.244507D+01  0.314304D+01 -0.219776D+01 -0.659931D+01
      2   0.322833D+01  0.446122D+01  0.728409D+00  0.276960D+01  0.119105D+02
      3  -0.109298D+01 -0.201615D+01 -0.387145D+01 -0.571839D+00 -0.531119D+01
      4   0.651023D+01 -0.282596D+01  0.227614D+01  0.430435D+01 -0.975613D+00
      5  -0.175882D+01 -0.135389D+01 -0.329338D+01 -0.166821D+01 -0.729370D+00
      6   0.469073D+01 -0.440399D+01  0.323266D+01  0.133401D+01 -0.182385D+01
               141           142           143           144 
      1   0.385220D+00 -0.149446D+01 -0.157810D+01 -0.213083D+00
      2   0.195550D+01  0.139437D+01  0.362854D+01  0.218233D+01
      3  -0.234072D+01  0.100098D+00 -0.205044D+01 -0.196925D+01
      4   0.681422D+00  0.535416D+01 -0.383315D+01  0.171165D+01
      5  -0.149490D+01 -0.205659D+00 -0.471005D+00 -0.247538D+01
      6   0.410087D+01  0.362913D+01  0.165187D+01  0.252745D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.935565D+00      0.237797D+01      0.793205D+01
   x         -0.219189D-04     -0.557122D-04     -0.185836D-03
   y         -0.101866D-03     -0.258916D-03     -0.863652D-03
   z          0.935565D+00      0.237797D+01      0.793205D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.657275D+02      0.973980D+01      0.108370D+02
   aniso      0.167597D+02      0.248353D+01      0.276330D+01
   xx         0.682333D+02      0.101111D+02      0.112502D+02
   yx        -0.589845D+01     -0.874060D+00     -0.972522D+00
   yy         0.718317D+02      0.106444D+02      0.118435D+02
   zx        -0.296794D-03     -0.439804D-04     -0.489348D-04
   zy         0.199159D-03      0.295122D-04      0.328368D-04
   zz         0.571173D+02      0.846392D+01      0.941738D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.727250D+02      0.107767D+02      0.119907D+02
   aniso      0.173252D+02      0.256733D+01      0.285654D+01
   xx         0.753679D+02      0.111684D+02      0.124265D+02
   yx        -0.606797D+01     -0.899180D+00     -0.100047D+01
   yy         0.790191D+02      0.117094D+02      0.130285D+02
   zx        -0.241550D-03     -0.357940D-04     -0.398262D-04
   zy         0.193500D-03      0.286737D-04      0.319038D-04
   zz         0.637881D+02      0.945242D+01      0.105172D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.76735853         -0.96502805         -0.57007385
     8         -2.31696074         -3.11815562         -1.19555530
     8         -4.48337387          0.44921833         -1.71637645
     6         -1.42254131          0.31564008          1.65808247
     6          1.42263979         -0.31523177          1.65805615
     6          2.76726756          0.96486607         -0.57045900
     8          2.31696707          3.11792165         -1.19628239
     8         -1.89866432          2.93902700          1.70264174
     8          1.89885183         -2.93862214          1.70328911
     8          4.48316494         -0.44963936         -1.71660582
     1         -2.23579019         -0.50729097          3.37023765
     1          2.23594810          0.50809288          3.36999020
     1          4.43580667         -2.10957318         -0.90336175
     1         -4.43594537          2.10930842         -0.90345073
     1         -0.57361606          3.73426375          0.68145216
     1          0.57369527         -3.73431743          0.68262209

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.935565D+00      0.237797D+01      0.793205D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.935565D+00      0.237797D+01      0.793205D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.657275D+02      0.973980D+01      0.108370D+02
   aniso      0.167597D+02      0.248353D+01      0.276330D+01
   xx         0.682333D+02      0.101111D+02      0.112502D+02
   yx        -0.589845D+01     -0.874060D+00     -0.972522D+00
   yy         0.718317D+02      0.106444D+02      0.118435D+02
   zx         0.850065D-04      0.125967D-04      0.140157D-04
   zy        -0.126477D-02     -0.187420D-03     -0.208533D-03
   zz         0.571173D+02      0.846392D+01      0.941738D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.727250D+02      0.107767D+02      0.119907D+02
   aniso      0.173252D+02      0.256733D+01      0.285654D+01
   xx         0.753679D+02      0.111684D+02      0.124265D+02
   yx        -0.606797D+01     -0.899180D+00     -0.100047D+01
   yy         0.790191D+02      0.117094D+02      0.130285D+02
   zx         0.147843D-03      0.219080D-04      0.243760D-04
   zy        -0.132271D-02     -0.196005D-03     -0.218085D-03
   zz         0.637881D+02      0.945242D+01      0.105172D+02

 ----------------------------------------------------------------------
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 ... SUBJECTS WHICH DISCLOSE THEIR FULL POWER, MEANING AND BEAUTY AS SOON
 AS THEY ARE PRESENTED TO THE MIND HAVE VERY LITTLE OF THOSE QUALITIES
 TO DISCLOSE.
                           -- CHARLES DUTTON (1882)
 Job cpu time:       0 days  3 hours 12 minutes 47.2 seconds.
 Elapsed time:       0 days  0 hours 12 minutes  4.7 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:34:07 2021.
